Author: bpoussin Date: 2013-01-24 12:34:39 +0100 (Thu, 24 Jan 2013) New Revision: 57 Url: http://forge.codelutin.com/projects/cantharella/repository/revisions/57 Log: fixes #1647: Integrate ChemDoodleWeb for the molecule drawing Added: trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/utils/behaviors/MoleculeEditorBehavior.java trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/utils/behaviors/MoleculeViewBehavior.java trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/ trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/ trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/ChemDoodleWeb.css trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_flat_0_aaaaaa_40x100.png trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_flat_0_eeeeee_40x100.png trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_flat_55_c0402a_40x100.png trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_flat_55_eeeeee_40x100.png trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_glass_100_f8f8f8_1x400.png trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_glass_35_dddddd_1x400.png trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_glass_60_eeeeee_1x400.png trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_inset-hard_75_999999_1x100.png trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_inset-soft_50_c9c9c9_1x100.png trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-icons_3383bb_256x240.png trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-icons_454545_256x240.png trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-icons_70b2e1_256x240.png trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-icons_999999_256x240.png trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-icons_fbc856_256x240.png trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/jquery-ui-1.9.2.custom.css trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/js/ trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/js/ChemDoodleWeb-libs.js trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/js/ChemDoodleWeb-sketcher.js trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/js/ChemDoodleWeb.js trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/js/jquery-ui-1.9.2.custom.min.js trunk/cantharella.web/src/main/webapp/js/jquery-1.9.0.min.js trunk/cantharella.web/src/main/webapp/js/moleditor.js trunk/cantharella.web/src/main/webapp/js/molviewer.js Modified: trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/pages/domain/molecule/ListMoleculesPage.java trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/pages/domain/molecule/ManageMoleculePage.html trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/pages/domain/molecule/ManageMoleculePage.java trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/pages/domain/molecule/ReadMoleculePage.java Modified: trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/pages/domain/molecule/ListMoleculesPage.java =================================================================== --- trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/pages/domain/molecule/ListMoleculesPage.java 2013-01-18 17:07:45 UTC (rev 56) +++ trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/pages/domain/molecule/ListMoleculesPage.java 2013-01-24 11:34:39 UTC (rev 57) @@ -33,6 +33,7 @@ import nc.ird.cantharella.web.pages.domain.campagne.ReadCampagnePage; import nc.ird.cantharella.web.pages.domain.lot.ManageLotPage; import nc.ird.cantharella.web.utils.CallerPage; +import nc.ird.cantharella.web.utils.behaviors.MoleculeViewBehavior; import nc.ird.cantharella.web.utils.columns.BooleanPropertyColumn; import nc.ird.cantharella.web.utils.columns.DecimalPropertyColumn; import nc.ird.cantharella.web.utils.columns.EnumPropertyColumn; @@ -47,6 +48,7 @@ import org.apache.wicket.MarkupContainer; import org.apache.wicket.extensions.ajax.markup.html.repeater.data.table.AjaxFallbackDefaultDataTable; import org.apache.wicket.extensions.markup.html.repeater.data.grid.ICellPopulator; +import org.apache.wicket.extensions.markup.html.repeater.data.table.AbstractColumn; import org.apache.wicket.extensions.markup.html.repeater.data.table.DataTable; import org.apache.wicket.extensions.markup.html.repeater.data.table.IColumn; import org.apache.wicket.extensions.markup.html.repeater.data.table.PropertyColumn; @@ -56,6 +58,7 @@ import org.apache.wicket.markup.repeater.Item; import org.apache.wicket.model.IModel; import org.apache.wicket.model.Model; +import org.apache.wicket.model.PropertyModel; import org.apache.wicket.spring.injection.annot.SpringBean; /** @@ -109,8 +112,15 @@ setResponsePage(new ReadMoleculePage(model.getObject().getIdMolecule(), currentPage)); } }); - columns.add(new PropertyColumn<Molecule>(new Model<String>(getString("Molecule.formuleDevMol")), "formuleDevMol", - "formuleDevMol")); +// columns.add(new PropertyColumn<Molecule>(new Model<String>(getString("Molecule.formuleDevMol")), "formuleDevMol", +// "formuleDevMol")); + columns.add(new AbstractColumn<Molecule>(new Model<String>(getString("Molecule.formuleDevMol"))) { + public void populateItem(Item<ICellPopulator<Molecule>> cellItem, String componentId, IModel<Molecule> rowModel) { + cellItem.add(new Label(componentId, "-") + .add(new MoleculeViewBehavior(new PropertyModel<String>(rowModel, "formuleDevMol")))); + } + }); + columns.add(new PropertyColumn<Molecule>(new Model<String>(getString("Molecule.nomCommun")), "nomCommun", "nomCommun")); columns.add(new PropertyColumn<Molecule>(new Model<String>(getString("Molecule.familleChimique")), "familleChimique", Modified: trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/pages/domain/molecule/ManageMoleculePage.html =================================================================== --- trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/pages/domain/molecule/ManageMoleculePage.html 2013-01-18 17:07:45 UTC (rev 56) +++ trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/pages/domain/molecule/ManageMoleculePage.html 2013-01-24 11:34:39 UTC (rev 57) @@ -40,7 +40,7 @@ <div class="property"> <label for="Molecule.formuleDevMol"><wicket:message key="Molecule.formuleDevMol" /></label> - <input type="text" id="Molecule.formuleDevMol" wicket:id="Molecule.formuleDevMol" /> + <input type="hidden" id="Molecule.formuleDevMol" wicket:id="Molecule.formuleDevMol" /> </div> <div class="property"> Modified: trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/pages/domain/molecule/ManageMoleculePage.java =================================================================== --- trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/pages/domain/molecule/ManageMoleculePage.java 2013-01-18 17:07:45 UTC (rev 56) +++ trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/pages/domain/molecule/ManageMoleculePage.java 2013-01-24 11:34:39 UTC (rev 57) @@ -55,6 +55,7 @@ import nc.ird.cantharella.web.pages.renderers.ProduitRenderer; import nc.ird.cantharella.web.utils.CallerPage; import nc.ird.cantharella.web.utils.behaviors.JSConfirmationBehavior; +import nc.ird.cantharella.web.utils.behaviors.MoleculeEditorBehavior; import nc.ird.cantharella.web.utils.behaviors.ReplaceEmptyLabelBehavior; import nc.ird.cantharella.web.utils.forms.SubmittableButton; import nc.ird.cantharella.web.utils.forms.SubmittableButtonEvents; @@ -79,6 +80,7 @@ import org.apache.wicket.markup.html.form.CheckBox; import org.apache.wicket.markup.html.form.DropDownChoice; import org.apache.wicket.markup.html.form.Form; +import org.apache.wicket.markup.html.form.HiddenField; import org.apache.wicket.markup.html.form.TextArea; import org.apache.wicket.markup.html.form.TextField; import org.apache.wicket.markup.html.link.Link; @@ -190,7 +192,8 @@ formView.add(new TextField<String>("Molecule.nomCommun", new PropertyModel<String>(moleculeModel, "nomCommun"))); formView.add(new TextField<String>("Molecule.familleChimique", new PropertyModel<String>(moleculeModel, "familleChimique"))); - formView.add(new TextField<String>("Molecule.formuleDevMol", new PropertyModel<String>(moleculeModel, "formuleDevMol"))); + formView.add(new HiddenField<String>("Molecule.formuleDevMol", new PropertyModel<String>(moleculeModel, "formuleDevMol")) + .add(new MoleculeEditorBehavior(new PropertyModel<String>(moleculeModel, "formuleDevMol")))); //moleculeModel.getObject().getFormuleDevMol()))); formView.add(new TextField<String>("Molecule.nomIupca", new PropertyModel<String>(moleculeModel, "nomIupca"))); formView.add(new TextField<String>("Molecule.formuleBrute", new PropertyModel<String>(moleculeModel, "formuleBrute"))); Modified: trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/pages/domain/molecule/ReadMoleculePage.java =================================================================== --- trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/pages/domain/molecule/ReadMoleculePage.java 2013-01-18 17:07:45 UTC (rev 56) +++ trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/pages/domain/molecule/ReadMoleculePage.java 2013-01-24 11:34:39 UTC (rev 57) @@ -46,6 +46,7 @@ import nc.ird.cantharella.web.pages.renderers.ProduitRenderer; import nc.ird.cantharella.web.utils.CallerPage; import nc.ird.cantharella.web.utils.behaviors.JSConfirmationBehavior; +import nc.ird.cantharella.web.utils.behaviors.MoleculeViewBehavior; import nc.ird.cantharella.web.utils.behaviors.ReplaceEmptyLabelBehavior; import nc.ird.cantharella.web.utils.forms.SubmittableButton; import nc.ird.cantharella.web.utils.forms.SubmittableButtonEvents; @@ -111,7 +112,8 @@ add(new Label("Molecule.idMolecule", new PropertyModel<String>(moleculeModel, "idMolecule"))); add(new Label("Molecule.nomCommun", new PropertyModel<String>(moleculeModel, "nomCommun")).add(new ReplaceEmptyLabelBehavior())); add(new Label("Molecule.familleChimique", new PropertyModel<String>(moleculeModel, "familleChimique")).add(new ReplaceEmptyLabelBehavior())); - add(new Label("Molecule.formuleDevMol", new PropertyModel<String>(moleculeModel, "formuleDevMol")).add(new ReplaceEmptyLabelBehavior())); + add(new Label("Molecule.formuleDevMol", new PropertyModel<String>(moleculeModel, "formuleDevMol")).add(new ReplaceEmptyLabelBehavior()) + .add(new MoleculeViewBehavior(new PropertyModel<String>(moleculeModel, "formuleDevMol")))); add(new Label("Molecule.nomIupca", new PropertyModel<String>(moleculeModel, "nomIupca")).add(new ReplaceEmptyLabelBehavior())); add(new Label("Molecule.formuleBrute", new PropertyModel<String>(moleculeModel, "formuleBrute")).add(new ReplaceEmptyLabelBehavior())); add(new Label("Molecule.masseMolaire", new DisplayDecimalPropertyModel(moleculeModel, "masseMolaire", DecimalDisplFormat.SMALL, getLocale())).add(new ReplaceEmptyLabelBehavior())); Added: trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/utils/behaviors/MoleculeEditorBehavior.java =================================================================== --- trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/utils/behaviors/MoleculeEditorBehavior.java (rev 0) +++ trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/utils/behaviors/MoleculeEditorBehavior.java 2013-01-24 11:34:39 UTC (rev 57) @@ -0,0 +1,86 @@ +/* + * #%L + * Cantharella :: Web + * $Id:$ + * $HeadURL:$ + * %% + * Copyright (C) 2009 - 2012 IRD (Institut de Recherche pour le Developpement) and by respective authors (see below) + * %% + * This program is free software: you can redistribute it and/or modify + * it under the terms of the GNU Affero General Public License as published by + * the Free Software Foundation, either version 3 of the License, or + * (at your option) any later version. + * + * This program is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + * GNU General Public License for more details. + * + * You should have received a copy of the GNU Affero General Public License + * along with this program. If not, see <http://www.gnu.org/licenses/>. + * #L% + */ +package nc.ird.cantharella.web.utils.behaviors; + +import org.apache.wicket.AttributeModifier; +import org.apache.wicket.Component; +import org.apache.wicket.markup.html.IHeaderResponse; +import org.apache.wicket.model.IModel; +import org.apache.wicket.request.Response; +import org.apache.wicket.util.string.JavaScriptUtils; + +/** + * Permet d'ajouter la formule dans un attribut formula. L'attribut est ensuite + * utilise en javascript pour ajouter la visualisation de la formule + * + * @author poussin + * @version $Revision$ + * + * Last update: $Date$ + * by : $Author$ + */ +public class MoleculeEditorBehavior extends AttributeModifier { + + private static final long serialVersionUID = 1L; + + public MoleculeEditorBehavior(IModel<?> replaceModel) { + super("formula", replaceModel); + } + + @Override + protected String newValue(String currentValue, String replacementValue) { + // on ajoute toujours un premier caractere pour oblige l'existance de + // l'attribut car sinon si formula est vide l'attribut n'est pas ajoute + return "." + replacementValue; + } + + @Override + public void renderHead(Component component, IHeaderResponse response) { + response.renderCSSReference("/ChemDoodleWeb/css/ChemDoodleWeb.css"); + response.renderCSSReference("/ChemDoodleWeb/css/jquery-ui-1.9.2.custom.css"); + response.renderJavaScriptReference("/js/jquery-1.9.0.min.js"); + response.renderJavaScriptReference("/ChemDoodleWeb/js/ChemDoodleWeb-libs.js"); + response.renderJavaScriptReference("/ChemDoodleWeb/js/ChemDoodleWeb.js"); + response.renderJavaScriptReference("/ChemDoodleWeb/js/jquery-ui-1.9.2.custom.min.js"); + response.renderJavaScriptReference("/ChemDoodleWeb/js/ChemDoodleWeb-sketcher.js"); + response.renderJavaScriptReference("/js/moleditor.js"); + } + + @Override + public void beforeRender(Component component) { + // il faut que l'element HTML est forcement un identifiant pour pouvoir + // travailler avec + component.setOutputMarkupId(true); + } + + @Override + public void afterRender(Component component) { + Response response = component.getResponse(); + final String id = component.getMarkupId(); + + response.write(JavaScriptUtils.SCRIPT_OPEN_TAG); + + response.write("addEditorMolecule('"+id+"');"); + response.write(JavaScriptUtils.SCRIPT_CLOSE_TAG); + } +} Added: trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/utils/behaviors/MoleculeViewBehavior.java =================================================================== --- trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/utils/behaviors/MoleculeViewBehavior.java (rev 0) +++ trunk/cantharella.web/src/main/java/nc/ird/cantharella/web/utils/behaviors/MoleculeViewBehavior.java 2013-01-24 11:34:39 UTC (rev 57) @@ -0,0 +1,84 @@ +/* + * #%L + * Cantharella :: Web + * $Id:$ + * $HeadURL:$ + * %% + * Copyright (C) 2009 - 2012 IRD (Institut de Recherche pour le Developpement) and by respective authors (see below) + * %% + * This program is free software: you can redistribute it and/or modify + * it under the terms of the GNU Affero General Public License as published by + * the Free Software Foundation, either version 3 of the License, or + * (at your option) any later version. + * + * This program is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + * GNU General Public License for more details. + * + * You should have received a copy of the GNU Affero General Public License + * along with this program. If not, see <http://www.gnu.org/licenses/>. + * #L% + */ +package nc.ird.cantharella.web.utils.behaviors; + +import org.apache.wicket.AttributeModifier; +import org.apache.wicket.Component; +import org.apache.wicket.markup.html.IHeaderResponse; +import org.apache.wicket.model.IModel; +import org.apache.wicket.request.Response; +import org.apache.wicket.util.string.JavaScriptUtils; + +/** + * Permet d'ajouter la formule dans un attribut formula. L'attribut est ensuite + * utilise en javascript pour ajouter l'editeur de formule + * + * @author poussin + * @version $Revision$ + * + * Last update: $Date$ + * by : $Author$ + */ +public class MoleculeViewBehavior extends AttributeModifier { + + private static final long serialVersionUID = 1L; + + public MoleculeViewBehavior(IModel<?> replaceModel) { + super("formula", replaceModel); + } + + @Override + protected String newValue(String currentValue, String replacementValue) { + // on ajoute toujours un premier caractere pour oblige l'existance de + // l'attribut car sinon si formula est vide le l'attribut n'est pas ajoute + return "." + replacementValue; + } + + @Override + public void renderHead(Component component, IHeaderResponse response) { + response.renderCSSReference("/ChemDoodleWeb/css/ChemDoodleWeb.css"); + response.renderJavaScriptReference("/js/jquery-1.9.0.min.js"); + response.renderJavaScriptReference("/ChemDoodleWeb/js/ChemDoodleWeb-libs.js"); + response.renderJavaScriptReference("/ChemDoodleWeb/js/ChemDoodleWeb.js"); + response.renderJavaScriptReference("/js/molviewer.js"); + } + + @Override + public void beforeRender(Component component) { + // il faut que l'element HTML est forcement un identifiant pour pouvoir + // travailler avec + component.setOutputMarkupId(true); + } + + @Override + public void afterRender(Component component) { + Response response = component.getResponse(); + String id = component.getMarkupId(); + + response.write(JavaScriptUtils.SCRIPT_OPEN_TAG); + + response.write("addViewerMolecule('"+id+"');"); + response.write(JavaScriptUtils.SCRIPT_CLOSE_TAG); + } + +} Added: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/ChemDoodleWeb.css =================================================================== --- trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/ChemDoodleWeb.css (rev 0) +++ trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/ChemDoodleWeb.css 2013-01-24 11:34:39 UTC (rev 57) @@ -0,0 +1,3 @@ +canvas.ChemDoodleWebComponent { + border: 1px solid black; +} \ No newline at end of file Added: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_flat_0_aaaaaa_40x100.png =================================================================== (Binary files differ) Property changes on: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_flat_0_aaaaaa_40x100.png ___________________________________________________________________ Added: svn:mime-type + image/png Added: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_flat_0_eeeeee_40x100.png =================================================================== (Binary files differ) Property changes on: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_flat_0_eeeeee_40x100.png ___________________________________________________________________ Added: svn:mime-type + image/png Added: 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differ) Property changes on: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_glass_100_f8f8f8_1x400.png ___________________________________________________________________ Added: svn:mime-type + image/png Added: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_glass_35_dddddd_1x400.png =================================================================== (Binary files differ) Property changes on: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_glass_35_dddddd_1x400.png ___________________________________________________________________ Added: svn:mime-type + image/png Added: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_glass_60_eeeeee_1x400.png =================================================================== (Binary files differ) Property changes on: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-bg_glass_60_eeeeee_1x400.png 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on: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-icons_70b2e1_256x240.png ___________________________________________________________________ Added: svn:mime-type + image/png Added: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-icons_999999_256x240.png =================================================================== (Binary files differ) Property changes on: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-icons_999999_256x240.png ___________________________________________________________________ Added: svn:mime-type + image/png Added: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-icons_fbc856_256x240.png =================================================================== (Binary files differ) Property changes on: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/images/ui-icons_fbc856_256x240.png ___________________________________________________________________ Added: svn:mime-type + image/png Added: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/jquery-ui-1.9.2.custom.css =================================================================== --- trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/jquery-ui-1.9.2.custom.css (rev 0) +++ trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/css/jquery-ui-1.9.2.custom.css 2013-01-24 11:34:39 UTC (rev 57) @@ -0,0 +1,386 @@ +/*! jQuery UI - v1.9.2 - 2012-11-29 +* http://jqueryui.com +* Includes: jquery.ui.core.css, jquery.ui.resizable.css, jquery.ui.selectable.css, jquery.ui.button.css, jquery.ui.dialog.css, jquery.ui.menu.css, jquery.ui.progressbar.css, jquery.ui.slider.css, jquery.ui.spinner.css, jquery.ui.tooltip.css +* To view and modify this theme, visit http://jqueryui.com/themeroller/?ffDefault=Trebuchet%20MS%2CHelvetica%2CArial%2Csans-serif&fwDefault=bold&fsDefault=1.1em&cornerRadius=6px&bgColorHeader=dddddd&bgTextureHeader=02_glass.png&bgImgOpacityHeader=35&borderColorHeader=bbbbbb&fcHeader=444444&iconColorHeader=999999&bgColorContent=c9c9c9&bgTextureContent=05_inset_soft.png&bgImgOpacityContent=50&borderColorContent=aaaaaa&fcContent=333333&iconColorContent=999999&bgColorDefault=eeeeee&bgTextureDefault=02_glass.png&bgImgOpacityDefault=60&borderColorDefault=cccccc&fcDefault=3383bb&iconColorDefault=70b2e1&bgColorHover=f8f8f8&bgTextureHover=02_glass.png&bgImgOpacityHover=100&borderColorHover=bbbbbb&fcHover=599fcf&iconColorHover=3383bb&bgColorActive=999999&bgTextureActive=06_inset_hard.png&bgImgOpacityActive=75&borderColorActive=999999&fcActive=ffffff&iconColorActive=454545&bgColorHighlight=eeeeee&bgTextureHighlight=01_flat.png&bgImgOpacityHighlight=55&borderColorHighlight=ffffff&fcHighlight=444444&iconColorHighlight=3383bb&bgColorError=c0402a&bgTextureError=01_flat.png&bgImgOpacityError=55&borderColorError=c0402a&fcError=ffffff&iconColorError=fbc856&bgColorOverlay=eeeeee&bgTextureOverlay=01_flat.png&bgImgOpacityOverlay=0&opacityOverlay=80&bgColorShadow=aaaaaa&bgTextureShadow=01_flat.png&bgImgOpacityShadow=0&opacityShadow=60&thicknessShadow=4px&offsetTopShadow=-4px&offsetLeftShadow=-4px&cornerRadiusShadow=0px +* Copyright (c) 2012 jQuery Foundation and other contributors Licensed MIT */ + +/* Layout helpers +----------------------------------*/ +.ui-helper-hidden { display: none; } +.ui-helper-hidden-accessible { border: 0; clip: rect(0 0 0 0); height: 1px; margin: -1px; overflow: hidden; padding: 0; position: absolute; width: 1px; } +.ui-helper-reset { margin: 0; padding: 0; border: 0; outline: 0; line-height: 1.3; text-decoration: none; font-size: 100%; list-style: none; } +.ui-helper-clearfix:before, .ui-helper-clearfix:after { content: ""; display: table; } +.ui-helper-clearfix:after { clear: both; } +.ui-helper-clearfix { zoom: 1; } +.ui-helper-zfix { width: 100%; height: 100%; top: 0; left: 0; position: absolute; opacity: 0; filter:Alpha(Opacity=0); } + + +/* Interaction Cues +----------------------------------*/ +.ui-state-disabled { cursor: default !important; } + + +/* Icons +----------------------------------*/ + +/* states and images */ +.ui-icon { display: block; text-indent: -99999px; overflow: hidden; background-repeat: no-repeat; } + + +/* Misc visuals +----------------------------------*/ + +/* Overlays */ +.ui-widget-overlay { position: absolute; top: 0; left: 0; width: 100%; height: 100%; } +.ui-resizable { position: relative;} +.ui-resizable-handle { position: absolute;font-size: 0.1px; display: block; } +.ui-resizable-disabled .ui-resizable-handle, .ui-resizable-autohide .ui-resizable-handle { display: none; } +.ui-resizable-n { cursor: n-resize; height: 7px; width: 100%; top: -5px; left: 0; } +.ui-resizable-s { cursor: s-resize; height: 7px; width: 100%; bottom: -5px; left: 0; } +.ui-resizable-e { cursor: e-resize; width: 7px; right: -5px; top: 0; height: 100%; } +.ui-resizable-w { cursor: w-resize; width: 7px; left: -5px; top: 0; height: 100%; } +.ui-resizable-se { cursor: se-resize; width: 12px; height: 12px; right: 1px; bottom: 1px; } +.ui-resizable-sw { cursor: sw-resize; width: 9px; height: 9px; left: -5px; bottom: -5px; } +.ui-resizable-nw { cursor: nw-resize; width: 9px; height: 9px; left: -5px; top: -5px; } +.ui-resizable-ne { cursor: ne-resize; width: 9px; height: 9px; right: -5px; top: -5px;}.ui-selectable-helper { position: absolute; z-index: 100; border:1px dotted black; } +.ui-button { display: inline-block; position: relative; padding: 0; margin-right: .1em; cursor: pointer; text-align: center; zoom: 1; overflow: visible; } /* the overflow property removes extra width in IE */ +.ui-button, .ui-button:link, .ui-button:visited, .ui-button:hover, .ui-button:active { text-decoration: none; } +.ui-button-icon-only { width: 2.2em; } /* to make room for the icon, a width needs to be set here */ +button.ui-button-icon-only { width: 2.4em; } /* button elements seem to need a little more width */ +.ui-button-icons-only { width: 3.4em; } +button.ui-button-icons-only { width: 3.7em; } + +/*button text element */ +.ui-button .ui-button-text { display: block; line-height: 1.4; } +/*iChemLabs - changed to "3px" from ".4em 1em;"*/ +.ui-button-text-only .ui-button-text { padding: 3px; } +.ui-button-icon-only .ui-button-text, .ui-button-icons-only .ui-button-text { padding: .4em; text-indent: -9999999px; } +.ui-button-text-icon-primary .ui-button-text, .ui-button-text-icons .ui-button-text { padding: .4em 1em .4em 2.1em; } +.ui-button-text-icon-secondary .ui-button-text, .ui-button-text-icons .ui-button-text { padding: .4em 2.1em .4em 1em; } +.ui-button-text-icons .ui-button-text { padding-left: 2.1em; padding-right: 2.1em; } +/* no icon support for input elements, provide padding by default */ +input.ui-button { padding: .4em 1em; } + +/*button icon element(s) */ +.ui-button-icon-only .ui-icon, .ui-button-text-icon-primary .ui-icon, .ui-button-text-icon-secondary .ui-icon, .ui-button-text-icons .ui-icon, .ui-button-icons-only .ui-icon { position: absolute; top: 50%; margin-top: -8px; } +.ui-button-icon-only .ui-icon { left: 50%; margin-left: -8px; } +.ui-button-text-icon-primary .ui-button-icon-primary, .ui-button-text-icons .ui-button-icon-primary, .ui-button-icons-only .ui-button-icon-primary { left: .5em; } +.ui-button-text-icon-secondary .ui-button-icon-secondary, .ui-button-text-icons .ui-button-icon-secondary, .ui-button-icons-only .ui-button-icon-secondary { right: .5em; } +.ui-button-text-icons .ui-button-icon-secondary, .ui-button-icons-only .ui-button-icon-secondary { right: .5em; } + +/*button sets*/ +/*iChemLabs - changed to "3px" from "7px"*/ +.ui-buttonset { margin-right: 3px; } +/*iChemLabs - changed to "-1px" from "-.3em"*/ +.ui-buttonset .ui-button { margin-left: 0; margin-right: -1px; } + +/* workarounds */ +button.ui-button::-moz-focus-inner { border: 0; padding: 0; } /* reset extra padding in Firefox */ +.ui-dialog { position: absolute; top: 0; left: 0; padding: .2em; width: 300px; overflow: hidden; } +.ui-dialog .ui-dialog-titlebar { padding: .4em 1em; position: relative; } +.ui-dialog .ui-dialog-title { float: left; margin: .1em 16px .1em 0; } +.ui-dialog .ui-dialog-titlebar-close { position: absolute; right: .3em; top: 50%; width: 19px; margin: -10px 0 0 0; padding: 1px; height: 18px; } +.ui-dialog .ui-dialog-titlebar-close span { display: block; margin: 1px; } +.ui-dialog .ui-dialog-titlebar-close:hover, .ui-dialog .ui-dialog-titlebar-close:focus { padding: 0; } +.ui-dialog .ui-dialog-content { position: relative; border: 0; padding: .5em 1em; background: none; overflow: auto; zoom: 1; } +.ui-dialog .ui-dialog-buttonpane { text-align: left; border-width: 1px 0 0 0; background-image: none; margin: .5em 0 0 0; padding: .3em 1em .5em .4em; } +.ui-dialog .ui-dialog-buttonpane .ui-dialog-buttonset { float: right; } +.ui-dialog .ui-dialog-buttonpane button { margin: .5em .4em .5em 0; cursor: pointer; } +.ui-dialog .ui-resizable-se { width: 14px; height: 14px; right: 3px; bottom: 3px; } +.ui-draggable .ui-dialog-titlebar { cursor: move; } +.ui-menu { list-style:none; padding: 2px; margin: 0; display:block; outline: none; } +.ui-menu .ui-menu { margin-top: -3px; position: absolute; } +.ui-menu .ui-menu-item { margin: 0; padding: 0; zoom: 1; width: 100%; } +.ui-menu .ui-menu-divider { margin: 5px -2px 5px -2px; height: 0; font-size: 0; line-height: 0; border-width: 1px 0 0 0; } +.ui-menu .ui-menu-item a { text-decoration: none; display: block; padding: 2px .4em; line-height: 1.5; zoom: 1; font-weight: normal; } +.ui-menu .ui-menu-item a.ui-state-focus, +.ui-menu .ui-menu-item a.ui-state-active { font-weight: normal; margin: -1px; } + +.ui-menu .ui-state-disabled { font-weight: normal; margin: .4em 0 .2em; line-height: 1.5; } +.ui-menu .ui-state-disabled a { cursor: default; } + +/* icon support */ +.ui-menu-icons { position: relative; } +.ui-menu-icons .ui-menu-item a { position: relative; padding-left: 2em; } + +/* left-aligned */ +.ui-menu .ui-icon { position: absolute; top: .2em; left: .2em; } + +/* right-aligned */ +.ui-menu .ui-menu-icon { position: static; float: right; } +.ui-progressbar { height:2em; text-align: left; overflow: hidden; } +.ui-progressbar .ui-progressbar-value {margin: -1px; height:100%; }.ui-slider { position: relative; text-align: left; } +.ui-slider .ui-slider-handle { position: absolute; z-index: 2; width: 1.2em; height: 1.2em; cursor: default; } +.ui-slider .ui-slider-range { position: absolute; z-index: 1; font-size: .7em; display: block; border: 0; background-position: 0 0; } + +.ui-slider-horizontal { height: .8em; } +.ui-slider-horizontal .ui-slider-handle { top: -.3em; margin-left: -.6em; } +.ui-slider-horizontal .ui-slider-range { top: 0; height: 100%; } +.ui-slider-horizontal .ui-slider-range-min { left: 0; } +.ui-slider-horizontal .ui-slider-range-max { right: 0; } + +.ui-slider-vertical { width: .8em; height: 100px; } +.ui-slider-vertical .ui-slider-handle { left: -.3em; margin-left: 0; margin-bottom: -.6em; } +.ui-slider-vertical .ui-slider-range { left: 0; width: 100%; } +.ui-slider-vertical .ui-slider-range-min { bottom: 0; } +.ui-slider-vertical .ui-slider-range-max { top: 0; }.ui-spinner { position:relative; display: inline-block; overflow: hidden; padding: 0; vertical-align: middle; } +.ui-spinner-input { border: none; background: none; padding: 0; margin: .2em 0; vertical-align: middle; margin-left: .4em; margin-right: 22px; } +.ui-spinner-button { width: 16px; height: 50%; font-size: .5em; padding: 0; margin: 0; text-align: center; position: absolute; cursor: default; display: block; overflow: hidden; right: 0; } +.ui-spinner a.ui-spinner-button { border-top: none; border-bottom: none; border-right: none; } /* more specificity required here to overide default borders */ +.ui-spinner .ui-icon { position: absolute; margin-top: -8px; top: 50%; left: 0; } /* vertical centre icon */ +.ui-spinner-up { top: 0; } +.ui-spinner-down { bottom: 0; } + +/* TR overrides */ +.ui-spinner .ui-icon-triangle-1-s { + /* need to fix icons sprite */ + background-position:-65px -16px; +} +.ui-tooltip { + padding: 8px; + position: absolute; + z-index: 9999; + max-width: 300px; + -webkit-box-shadow: 0 0 5px #aaa; + box-shadow: 0 0 5px #aaa; +} +/* Fades and background-images don't work well together in IE6, drop the image */ +* html .ui-tooltip { + background-image: none; +} +body .ui-tooltip { border-width: 2px; } + +/* Component containers +----------------------------------*/ +.ui-widget { font-family: Trebuchet MS,Helvetica,Arial,sans-serif; font-size: 1.1em; } +.ui-widget .ui-widget { font-size: 1em; } +.ui-widget input, .ui-widget select, .ui-widget textarea, .ui-widget button { font-family: Trebuchet MS,Helvetica,Arial,sans-serif; font-size: 1em; } +.ui-widget-content { border: 1px solid #aaaaaa; background: #c9c9c9 url(images/ui-bg_inset-soft_50_c9c9c9_1x100.png) 50% bottom repeat-x; color: #333333; } +.ui-widget-content a { color: #333333; } +.ui-widget-header { border: 1px solid #bbbbbb; background: #dddddd url(images/ui-bg_glass_35_dddddd_1x400.png) 50% 50% repeat-x; color: #444444; font-weight: bold; } +.ui-widget-header a { color: #444444; } + +/* Interaction states +----------------------------------*/ +.ui-state-default, .ui-widget-content .ui-state-default, .ui-widget-header .ui-state-default { border: 1px solid #cccccc; background: #eeeeee url(images/ui-bg_glass_60_eeeeee_1x400.png) 50% 50% repeat-x; font-weight: bold; color: #3383bb; } +.ui-state-default a, .ui-state-default a:link, .ui-state-default a:visited { color: #3383bb; text-decoration: none; } +.ui-state-hover, .ui-widget-content .ui-state-hover, .ui-widget-header .ui-state-hover, .ui-state-focus, .ui-widget-content .ui-state-focus, .ui-widget-header .ui-state-focus { border: 1px solid #bbbbbb; background: #f8f8f8 url(images/ui-bg_glass_100_f8f8f8_1x400.png) 50% 50% repeat-x; font-weight: bold; color: #599fcf; } +.ui-state-hover a, .ui-state-hover a:hover, .ui-state-hover a:link, .ui-state-hover a:visited { color: #599fcf; text-decoration: none; } +.ui-state-active, .ui-widget-content .ui-state-active, .ui-widget-header .ui-state-active { border: 1px solid #999999; background: #999999 url(images/ui-bg_inset-hard_75_999999_1x100.png) 50% 50% repeat-x; font-weight: bold; color: #ffffff; } +.ui-state-active a, .ui-state-active a:link, .ui-state-active a:visited { color: #ffffff; text-decoration: none; } + +/* Interaction Cues +----------------------------------*/ +.ui-state-highlight, .ui-widget-content .ui-state-highlight, .ui-widget-header .ui-state-highlight {border: 1px solid #ffffff; background: #eeeeee url(images/ui-bg_flat_55_eeeeee_40x100.png) 50% 50% repeat-x; color: #444444; } +.ui-state-highlight a, .ui-widget-content .ui-state-highlight a,.ui-widget-header .ui-state-highlight a { color: #444444; } +.ui-state-error, .ui-widget-content .ui-state-error, .ui-widget-header .ui-state-error {border: 1px solid #c0402a; background: #c0402a url(images/ui-bg_flat_55_c0402a_40x100.png) 50% 50% repeat-x; color: #ffffff; } +.ui-state-error a, .ui-widget-content .ui-state-error a, .ui-widget-header .ui-state-error a { color: #ffffff; } +.ui-state-error-text, .ui-widget-content .ui-state-error-text, .ui-widget-header .ui-state-error-text { color: #ffffff; } +.ui-priority-primary, .ui-widget-content .ui-priority-primary, .ui-widget-header .ui-priority-primary { font-weight: bold; } +.ui-priority-secondary, .ui-widget-content .ui-priority-secondary, .ui-widget-header .ui-priority-secondary { opacity: .7; filter:Alpha(Opacity=70); font-weight: normal; } +.ui-state-disabled, .ui-widget-content .ui-state-disabled, .ui-widget-header .ui-state-disabled { opacity: .35; filter:Alpha(Opacity=35); background-image: none; } +.ui-state-disabled .ui-icon { filter:Alpha(Opacity=35); } /* For IE8 - See #6059 */ + +/* Icons +----------------------------------*/ + +/* states and images */ +.ui-icon { width: 16px; height: 16px; background-image: url(images/ui-icons_999999_256x240.png); } +.ui-widget-content .ui-icon {background-image: url(images/ui-icons_999999_256x240.png); } +.ui-widget-header .ui-icon {background-image: url(images/ui-icons_999999_256x240.png); } +.ui-state-default .ui-icon { background-image: url(images/ui-icons_70b2e1_256x240.png); } +.ui-state-hover .ui-icon, .ui-state-focus .ui-icon {background-image: url(images/ui-icons_3383bb_256x240.png); } +.ui-state-active .ui-icon {background-image: url(images/ui-icons_454545_256x240.png); } +.ui-state-highlight .ui-icon {background-image: url(images/ui-icons_3383bb_256x240.png); } +.ui-state-error .ui-icon, .ui-state-error-text .ui-icon {background-image: url(images/ui-icons_fbc856_256x240.png); } + +/* positioning */ +.ui-icon-carat-1-n { background-position: 0 0; } +.ui-icon-carat-1-ne { background-position: -16px 0; } +.ui-icon-carat-1-e { background-position: -32px 0; } +.ui-icon-carat-1-se { background-position: -48px 0; } +.ui-icon-carat-1-s { background-position: -64px 0; } +.ui-icon-carat-1-sw { background-position: -80px 0; } +.ui-icon-carat-1-w { background-position: -96px 0; } +.ui-icon-carat-1-nw { background-position: -112px 0; } +.ui-icon-carat-2-n-s { background-position: -128px 0; } +.ui-icon-carat-2-e-w { background-position: -144px 0; } +.ui-icon-triangle-1-n { background-position: 0 -16px; } +.ui-icon-triangle-1-ne { background-position: -16px -16px; } +.ui-icon-triangle-1-e { background-position: -32px -16px; } +.ui-icon-triangle-1-se { background-position: -48px -16px; } +.ui-icon-triangle-1-s { background-position: -64px -16px; } +.ui-icon-triangle-1-sw { background-position: -80px -16px; } +.ui-icon-triangle-1-w { background-position: -96px -16px; } +.ui-icon-triangle-1-nw { background-position: -112px -16px; } +.ui-icon-triangle-2-n-s { background-position: -128px -16px; } +.ui-icon-triangle-2-e-w { background-position: -144px -16px; } +.ui-icon-arrow-1-n { background-position: 0 -32px; } +.ui-icon-arrow-1-ne { background-position: -16px -32px; } +.ui-icon-arrow-1-e { background-position: -32px -32px; } +.ui-icon-arrow-1-se { background-position: -48px -32px; } +.ui-icon-arrow-1-s { background-position: -64px -32px; } +.ui-icon-arrow-1-sw { background-position: -80px -32px; } +.ui-icon-arrow-1-w { background-position: -96px -32px; } +.ui-icon-arrow-1-nw { background-position: -112px -32px; } +.ui-icon-arrow-2-n-s { background-position: -128px -32px; } +.ui-icon-arrow-2-ne-sw { background-position: -144px -32px; } +.ui-icon-arrow-2-e-w { background-position: -160px -32px; } +.ui-icon-arrow-2-se-nw { background-position: -176px -32px; } +.ui-icon-arrowstop-1-n { background-position: -192px -32px; } +.ui-icon-arrowstop-1-e { background-position: -208px -32px; } +.ui-icon-arrowstop-1-s { background-position: -224px -32px; } +.ui-icon-arrowstop-1-w { background-position: -240px -32px; } +.ui-icon-arrowthick-1-n { background-position: 0 -48px; } +.ui-icon-arrowthick-1-ne { background-position: -16px -48px; } +.ui-icon-arrowthick-1-e { background-position: -32px -48px; } +.ui-icon-arrowthick-1-se { background-position: -48px -48px; } +.ui-icon-arrowthick-1-s { background-position: -64px -48px; } +.ui-icon-arrowthick-1-sw { background-position: -80px -48px; } +.ui-icon-arrowthick-1-w { background-position: -96px -48px; } +.ui-icon-arrowthick-1-nw { background-position: -112px -48px; } +.ui-icon-arrowthick-2-n-s { background-position: -128px -48px; } +.ui-icon-arrowthick-2-ne-sw { background-position: -144px -48px; } +.ui-icon-arrowthick-2-e-w { background-position: -160px -48px; } +.ui-icon-arrowthick-2-se-nw { background-position: -176px -48px; } +.ui-icon-arrowthickstop-1-n { background-position: -192px -48px; } +.ui-icon-arrowthickstop-1-e { background-position: -208px -48px; } +.ui-icon-arrowthickstop-1-s { background-position: -224px -48px; } +.ui-icon-arrowthickstop-1-w { background-position: -240px -48px; } +.ui-icon-arrowreturnthick-1-w { background-position: 0 -64px; } +.ui-icon-arrowreturnthick-1-n { background-position: -16px -64px; } +.ui-icon-arrowreturnthick-1-e { background-position: -32px -64px; } +.ui-icon-arrowreturnthick-1-s { background-position: -48px -64px; } +.ui-icon-arrowreturn-1-w { background-position: -64px -64px; } +.ui-icon-arrowreturn-1-n { background-position: -80px -64px; } +.ui-icon-arrowreturn-1-e { background-position: -96px -64px; } +.ui-icon-arrowreturn-1-s { background-position: -112px -64px; } +.ui-icon-arrowrefresh-1-w { background-position: -128px -64px; } +.ui-icon-arrowrefresh-1-n { background-position: -144px -64px; } +.ui-icon-arrowrefresh-1-e { background-position: -160px -64px; } +.ui-icon-arrowrefresh-1-s { background-position: -176px -64px; } +.ui-icon-arrow-4 { background-position: 0 -80px; } +.ui-icon-arrow-4-diag { background-position: -16px -80px; } +.ui-icon-extlink { background-position: -32px -80px; } +.ui-icon-newwin { background-position: -48px -80px; } +.ui-icon-refresh { background-position: -64px -80px; } +.ui-icon-shuffle { background-position: -80px -80px; } +.ui-icon-transfer-e-w { background-position: -96px -80px; } +.ui-icon-transferthick-e-w { background-position: -112px -80px; } +.ui-icon-folder-collapsed { background-position: 0 -96px; } +.ui-icon-folder-open { background-position: -16px -96px; } +.ui-icon-document { background-position: -32px -96px; } +.ui-icon-document-b { background-position: -48px -96px; } +.ui-icon-note { background-position: -64px -96px; } +.ui-icon-mail-closed { background-position: -80px -96px; } +.ui-icon-mail-open { background-position: -96px -96px; } +.ui-icon-suitcase { background-position: -112px -96px; } +.ui-icon-comment { background-position: -128px -96px; } +.ui-icon-person { background-position: -144px -96px; } +.ui-icon-print { background-position: -160px -96px; } +.ui-icon-trash { background-position: -176px -96px; } +.ui-icon-locked { background-position: -192px -96px; } +.ui-icon-unlocked { background-position: -208px -96px; } +.ui-icon-bookmark { background-position: -224px -96px; } +.ui-icon-tag { background-position: 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-moz-border-radius-bottomright: 6px; -webkit-border-bottom-right-radius: 6px; -khtml-border-bottom-right-radius: 6px; border-bottom-right-radius: 6px; } + +/* Overlays */ +.ui-widget-overlay { background: #eeeeee url(images/ui-bg_flat_0_eeeeee_40x100.png) 50% 50% repeat-x; opacity: .8;filter:Alpha(Opacity=80); } +.ui-widget-shadow { margin: -4px 0 0 -4px; padding: 4px; background: #aaaaaa url(images/ui-bg_flat_0_aaaaaa_40x100.png) 50% 50% repeat-x; opacity: .6;filter:Alpha(Opacity=60); -moz-border-radius: 0px; -khtml-border-radius: 0px; -webkit-border-radius: 0px; border-radius: 0px; } \ No newline at end of file Added: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/js/ChemDoodleWeb-libs.js =================================================================== --- trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/js/ChemDoodleWeb-libs.js (rev 0) +++ trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/js/ChemDoodleWeb-libs.js 2013-01-24 11:34:39 UTC (rev 57) @@ -0,0 +1,78 @@ +// +// ChemDoodle Web Components uses the following open source software. 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+Math.abs(a[10]-b[10])&&1.0E-6>Math.abs(a[11]-b[11])&&1.0E-6>Math.abs(a[12]-b[12])&&1.0E-6>Math.abs(a[13]-b[13])&&1.0E-6>Math.abs(a[14]-b[14])&&1.0E-6>Math.abs(a[15]-b[15])},identity:function(a){a||(a=x.create());a[0]=1;a[1]=0;a[2]=0;a[3]=0;a[4]=0;a[5]=1;a[6]=0;a[7]=0;a[8]=0;a[9]=0;a[10]=1;a[11]=0;a[12]=0;a[13]=0;a[14]=0;a[15]=1;return a},transpose:function(a,b){if(!b||a===b){var c=a[1],d=a[2],e=a[3],g=a[6],f=a[7],h=a[11];a[1]=a[4];a[2]=a[8];a[3]=a[12];a[4]=c;a[6]=a[9];a[7]=a[13];a[8]=d;a[9]=g;a[11]= +a[14];a[12]=e;a[13]=f;a[14]=h;return a}b[0]=a[0];b[1]=a[4];b[2]=a[8];b[3]=a[12];b[4]=a[1];b[5]=a[5];b[6]=a[9];b[7]=a[13];b[8]=a[2];b[9]=a[6];b[10]=a[10];b[11]=a[14];b[12]=a[3];b[13]=a[7];b[14]=a[11];b[15]=a[15];return b},determinant:function(a){var b=a[0],c=a[1],d=a[2],e=a[3],g=a[4],f=a[5],h=a[6],j=a[7],i=a[8],m=a[9],l=a[10],C=a[11],q=a[12],n=a[13],k=a[14],a=a[15];return 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b},toRotationMat:function(a,b){b||(b=x.create());b[0]=a[0];b[1]=a[1];b[2]=a[2];b[3]=a[3];b[4]=a[4];b[5]=a[5];b[6]=a[6];b[7]=a[7];b[8]=a[8];b[9]=a[9];b[10]=a[10];b[11]=a[11];b[12]=0;b[13]=0;b[14]=0;b[15]=1;return b},toMat3:function(a,b){b||(b=A.create());b[0]= +a[0];b[1]=a[1];b[2]=a[2];b[3]=a[4];b[4]=a[5];b[5]=a[6];b[6]=a[8];b[7]=a[9];b[8]=a[10];return b},toInverseMat3:function(a,b){var c=a[0],d=a[1],e=a[2],g=a[4],f=a[5],h=a[6],j=a[8],i=a[9],m=a[10],l=m*f-h*i,k=-m*g+h*j,q=i*g-f*j,n=c*l+d*k+e*q;if(!n)return null;n=1/n;b||(b=A.create());b[0]=l*n;b[1]=(-m*d+e*i)*n;b[2]=(h*d-e*f)*n;b[3]=k*n;b[4]=(m*c-e*j)*n;b[5]=(-h*c+e*g)*n;b[6]=q*n;b[7]=(-i*c+d*j)*n;b[8]=(f*c-d*g)*n;return b},multiply:function(a,b,c){c||(c=a);var d=a[0],e=a[1],g=a[2],f=a[3],h=a[4],j=a[5], 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d=Math.sin(b),b=Math.cos(b),e=a[0],g=a[1],f=a[2],h=a[3],j=a[8],i=a[9],m=a[10],l=a[11];c?a!==c&&(c[4]=a[4],c[5]=a[5],c[6]=a[6],c[7]=a[7],c[12]=a[12],c[13]=a[13],c[14]=a[14],c[15]= +a[15]):c=a;c[0]=e*b+j*-d;c[1]=g*b+i*-d;c[2]=f*b+m*-d;c[3]=h*b+l*-d;c[8]=e*d+j*b;c[9]=g*d+i*b;c[10]=f*d+m*b;c[11]=h*d+l*b;return c},rotateZ:function(a,b,c){var d=Math.sin(b),b=Math.cos(b),e=a[0],g=a[1],f=a[2],h=a[3],j=a[4],i=a[5],m=a[6],l=a[7];c?a!==c&&(c[8]=a[8],c[9]=a[9],c[10]=a[10],c[11]=a[11],c[12]=a[12],c[13]=a[13],c[14]=a[14],c[15]=a[15]):c=a;c[0]=e*b+j*d;c[1]=g*b+i*d;c[2]=f*b+m*d;c[3]=h*b+l*d;c[4]=e*-d+j*b;c[5]=g*-d+i*b;c[6]=f*-d+m*b;c[7]=h*-d+l*b;return c},frustum:function(a,b,c,d,e,g,f){f|| +(f=x.create());var h=b-a,j=d-c,i=g-e;f[0]=2*e/h;f[1]=0;f[2]=0;f[3]=0;f[4]=0;f[5]=2*e/j;f[6]=0;f[7]=0;f[8]=(b+a)/h;f[9]=(d+c)/j;f[10]=-(g+e)/i;f[11]=-1;f[12]=0;f[13]=0;f[14]=-(2*g*e)/i;f[15]=0;return f},perspective:function(a,b,c,d,e){a=c*Math.tan(a*Math.PI/360);b*=a;return x.frustum(-b,b,-a,a,c,d,e)},ortho:function(a,b,c,d,e,g,f){f||(f=x.create());var h=b-a,j=d-c,i=g-e;f[0]=2/h;f[1]=0;f[2]=0;f[3]=0;f[4]=0;f[5]=2/j;f[6]=0;f[7]=0;f[8]=0;f[9]=0;f[10]=-2/i;f[11]=0;f[12]=-(a+b)/h;f[13]=-(d+c)/j;f[14]= +-(g+e)/i;f[15]=1;return f},lookAt:function(a,b,c,d){d||(d=x.create());var e,g,f,h,j,i,m,l,k=a[0],o=a[1],a=a[2];f=c[0];h=c[1];g=c[2];m=b[0];c=b[1];e=b[2];if(k===m&&o===c&&a===e)return x.identity(d);b=k-m;c=o-c;m=a-e;l=1/Math.sqrt(b*b+c*c+m*m);b*=l;c*=l;m*=l;e=h*m-g*c;g=g*b-f*m;f=f*c-h*b;(l=Math.sqrt(e*e+g*g+f*f))?(l=1/l,e*=l,g*=l,f*=l):f=g=e=0;h=c*f-m*g;j=m*e-b*f;i=b*g-c*e;(l=Math.sqrt(h*h+j*j+i*i))?(l=1/l,h*=l,j*=l,i*=l):i=j=h=0;d[0]=e;d[1]=h;d[2]=b;d[3]=0;d[4]=g;d[5]=j;d[6]=c;d[7]=0;d[8]=f;d[9]= +i;d[10]=m;d[11]=0;d[12]=-(e*k+g*o+f*a);d[13]=-(h*k+j*o+i*a);d[14]=-(b*k+c*o+m*a);d[15]=1;return d},fromRotationTranslation:function(a,b,c){c||(c=x.create());var 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Copyright (c) 2011 Brandon Aaron (http://brandonaaron.net) + * Licensed under the MIT License (LICENSE.txt). + * + * Thanks to: http://adomas.org/javascript-mouse-wheel/ for some pointers. + * Thanks to: Mathias Bank(http://www.mathias-bank.de) for a scope bug fix. + * Thanks to: Seamus Leahy for adding deltaX and deltaY + * + * Version: 3.0.6 + * + * Requires: 1.2.2+ + */ +(function(a){function d(b){var c=b||window.event,d=[].slice.call(arguments,1),e=0,f=!0,g=0,h=0;return b=a.event.fix(c),b.type="mousewheel",c.wheelDelta&&(e=c.wheelDelta/120),c.detail&&(e=-c.detail/3),h=e,c.axis!==undefined&&c.axis===c.HORIZONTAL_AXIS&&(h=0,g=-1*e),c.wheelDeltaY!==undefined&&(h=c.wheelDeltaY/120),c.wheelDeltaX!==undefined&&(g=-1*c.wheelDeltaX/120),d.unshift(b,e,g,h),(a.event.dispatch||a.event.handle).apply(this,d)}var b=["DOMMouseScroll","mousewheel"];if(a.event.fixHooks)for(var c=b.length;c;)a.event.fixHooks[b[--c]]=a.event.mouseHooks;a.event.special.mousewheel={setup:function(){if(this.addEventListener)for(var a=b.length;a;)this.addEventListener(b[--a],d,!1);else this.onmousewheel=d},teardown:function(){if(this.removeEventListener)for(var a=b.length;a;)this.removeEventListener(b[--a],d,!1);else this.onmousewheel=null}},a.fn.extend({mousewheel:function(a){return a?this.bind("mousewheel",a):this.trigger("mousewheel")},unmousewheel:function(a){return this.unbind("mousewheel",a)}})})(jQuery) Added: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/js/ChemDoodleWeb-sketcher.js =================================================================== --- trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/js/ChemDoodleWeb-sketcher.js (rev 0) +++ trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/js/ChemDoodleWeb-sketcher.js 2013-01-24 11:34:39 UTC (rev 57) @@ -0,0 +1,261 @@ +// +// ChemDoodle Web Components 5.0.0 +// +// http://web.chemdoodle.com +// +// Copyright 2009-2012 iChemLabs, LLC. All rights reserved. +// +// This program is free software: you can redistribute it and/or modify +// it under the terms of the GNU General Public License as published by +// the Free Software Foundation, either version 3 of the License, or +// (at your option) any later version. +// +// As a special exception to the GPL, any HTML file in a public website +// or any free web service which merely makes function calls to this +// code, and for that purpose includes it by reference, shall be deemed +// a separate work for copyright law purposes. If you modify this code, +// you may extend this exception to your version of the code, but you +// are not obligated to do so. If you do not wish to do so, delete this +// exception statement from your version. +// +// As an additional exception to the GPL, you may distribute this +// packed form of the code without the copy of the GPL license normally +// required, provided you include this license notice and a URL through +// which recipients can access the corresponding unpacked source code. +// +// This program is distributed in the hope that it will be useful, +// but WITHOUT ANY WARRANTY; without even the implied warranty of +// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the +// GNU General Public License for more details. +// +// Please contact iChemLabs <http://www.ichemlabs.com/contact> for +// alternate licensing options. +// +ChemDoodle.sketcher=function(){var a={actions:{},gui:{}};a.gui.desktop={};a.gui.mobile={};a.states={};a.tools={};return a}();(function(a){a._Action=function(){this.forward=function(a){this.innerForward();this.checks(a)};this.reverse=function(a){this.innerReverse();this.checks(a)};this.checks=function(a){for(var f=0,c=a.molecules.length;f<c;f++)a.molecules[f].check();a.lasso&&a.lasso.isActive()&&a.lasso.setBounds();a.repaint()};return!0}})(ChemDoodle.sketcher.actions); +(function(a,d,f,c){f.AddAction=function(e,b,a,j){this.sketcher=e;this.a=b;this.as=a;this.bs=j;return!0};f.AddAction.prototype=new f._Action;f.AddAction.prototype.innerForward=function(){var e=this.sketcher.getMoleculeByAtom(this.a);e||(e=new d.Molecule,this.sketcher.molecules.push(e));if(this.as)for(var b=0,a=this.as.length;b<a;b++)e.atoms.push(this.as[b]);if(this.bs){for(var j=[],b=0,a=this.bs.length;b<a;b++){var m=this.bs[b];if(-1===c(m.a1,e.atoms)){var g=this.sketcher.getMoleculeByAtom(m.a1);-1=== +c(g,j)&&j.push(g)}-1===c(m.a2,e.atoms)&&(g=this.sketcher.getMoleculeByAtom(m.a2),-1===c(g,j)&&j.push(g));e.bonds.push(m)}b=0;for(a=j.length;b<a;b++)m=j[b],this.sketcher.removeMolecule(m),e.atoms=e.atoms.concat(m.atoms),e.bonds=e.bonds.concat(m.bonds)}};f.AddAction.prototype.innerReverse=function(){var e=this.sketcher.getMoleculeByAtom(this.a);if(this.as){for(var b=[],d=0,j=e.atoms.length;d<j;d++)-1===c(e.atoms[d],this.as)&&b.push(e.atoms[d]);e.atoms=b}if(this.bs){b=[];d=0;for(j=e.bonds.length;d<j;d++)-1=== +c(e.bonds[d],this.bs)&&b.push(e.bonds[d]);e.bonds=b}if(0===e.atoms.length)this.sketcher.removeMolecule(e);else if(b=(new a.Splitter).split(e),1<b.length){this.sketcher.removeMolecule(e);d=0;for(j=b.length;d<j;d++)this.sketcher.molecules.push(b[d])}}})(ChemDoodle.informatics,ChemDoodle.structures,ChemDoodle.sketcher.actions,jQuery.inArray); +(function(a){a.AddShapeAction=function(a,f){this.sketcher=a;this.s=f;return!0};a.AddShapeAction.prototype=new a._Action;a.AddShapeAction.prototype.innerForward=function(){this.sketcher.shapes.push(this.s)};a.AddShapeAction.prototype.innerReverse=function(){this.sketcher.removeShape(this.s)}})(ChemDoodle.sketcher.actions); +(function(a,d){a.ChangeBondAction=function(a,c,e){this.b=a;this.orderBefore=a.bondOrder;this.stereoBefore=a.stereo;c?(this.orderAfter=c,this.stereoAfter=e):(this.orderAfter=a.bondOrder+1,3<this.orderAfter&&(this.orderAfter=1),this.stereoAfter=d.STEREO_NONE);return!0};a.ChangeBondAction.prototype=new a._Action;a.ChangeBondAction.prototype.innerForward=function(){this.b.bondOrder=this.orderAfter;this.b.stereo=this.stereoAfter};a.ChangeBondAction.prototype.innerReverse=function(){this.b.bondOrder=this.orderBefore; +this.b.stereo=this.stereoBefore}})(ChemDoodle.sketcher.actions,ChemDoodle.structures.Bond);(function(a){a.ChangeChargeAction=function(a,f){this.a=a;this.delta=f;return!0};a.ChangeChargeAction.prototype=new a._Action;a.ChangeChargeAction.prototype.innerForward=function(){this.a.charge+=this.delta};a.ChangeChargeAction.prototype.innerReverse=function(){this.a.charge-=this.delta}})(ChemDoodle.sketcher.actions); +(function(a){a.ChangeCoordinatesAction=function(a,f){this.as=a;this.recs=[];for(var c=0,e=this.as.length;c<e;c++)this.recs[c]={xo:this.as[c].x,yo:this.as[c].y,xn:f[c].x,yn:f[c].y};return!0};a.ChangeCoordinatesAction.prototype=new a._Action;a.ChangeCoordinatesAction.prototype.innerForward=function(){for(var a=0,f=this.as.length;a<f;a++)this.as[a].x=this.recs[a].xn,this.as[a].y=this.recs[a].yn};a.ChangeCoordinatesAction.prototype.innerReverse=function(){for(var a=0,f=this.as.length;a<f;a++)this.as[a].x= +this.recs[a].xo,this.as[a].y=this.recs[a].yo}})(ChemDoodle.sketcher.actions);(function(a){a.ChangeLabelAction=function(a,f){this.a=a;this.before=a.label;this.after=f;return!0};a.ChangeLabelAction.prototype=new a._Action;a.ChangeLabelAction.prototype.innerForward=function(){this.a.label=this.after};a.ChangeLabelAction.prototype.innerReverse=function(){this.a.label=this.before}})(ChemDoodle.sketcher.actions); +(function(a){a.ChangeLonePairAction=function(a,f){this.a=a;this.delta=f;return!0};a.ChangeLonePairAction.prototype=new a._Action;a.ChangeLonePairAction.prototype.innerForward=function(){this.a.numLonePair+=this.delta};a.ChangeLonePairAction.prototype.innerReverse=function(){this.a.numLonePair-=this.delta}})(ChemDoodle.sketcher.actions); +(function(a){a.ChangeRadicalAction=function(a,f){this.a=a;this.delta=f;return!0};a.ChangeRadicalAction.prototype=new a._Action;a.ChangeRadicalAction.prototype.innerForward=function(){this.a.numRadical+=this.delta};a.ChangeRadicalAction.prototype.innerReverse=function(){this.a.numRadical-=this.delta}})(ChemDoodle.sketcher.actions); +(function(a){a.ChangeRgroupAction=function(a,f){this.a=a;this.rbefore=a.rgroup;this.rafter=f;return!0};a.ChangeRgroupAction.prototype=new a._Action;a.ChangeRgroupAction.prototype.innerForward=function(){this.a.rgroup=this.rafter};a.ChangeRgroupAction.prototype.innerReverse=function(){this.a.rgroup=this.rbefore}})(ChemDoodle.sketcher.actions); +(function(a,d){d.ClearAction=function(d){this.sketcher=d;this.beforeMols=this.sketcher.molecules;this.beforeShapes=this.sketcher.shapes;this.sketcher.clear();this.sketcher.oneMolecule&&(this.afterMol=new a.Molecule,this.afterMol.atoms.push(new a.Atom),this.sketcher.molecules.push(this.afterMol),this.sketcher.center(),this.sketcher.repaint());return!0};d.ClearAction.prototype=new d._Action;d.ClearAction.prototype.innerForward=function(){this.sketcher.molecules=[];this.sketcher.shapes=[];this.sketcher.oneMolecule&& +this.sketcher.molecules.push(this.afterMol)};d.ClearAction.prototype.innerReverse=function(){this.sketcher.molecules=this.beforeMols;this.sketcher.shapes=this.beforeShapes}})(ChemDoodle.structures,ChemDoodle.sketcher.actions); +(function(a){a.DeleteAction=function(a,f,c,e){this.sketcher=a;this.a=f;this.as=c;this.bs=e;this.ss=[];return!0};a.DeleteAction.prototype=new a._Action;a.DeleteAction.prototype.innerForwardAReverse=a.AddAction.prototype.innerReverse;a.DeleteAction.prototype.innerReverseAForward=a.AddAction.prototype.innerForward;a.DeleteAction.prototype.innerForward=function(){this.innerForwardAReverse();for(var a=0,f=this.ss.length;a<f;a++)this.sketcher.removeShape(this.ss[a])};a.DeleteAction.prototype.innerReverse= +function(){this.innerReverseAForward();0<this.ss.length&&(this.sketcher.shapes=this.sketcher.shapes.concat(this.ss))}})(ChemDoodle.sketcher.actions); +(function(a,d,f){d.DeleteContentAction=function(a,e,b){this.sketcher=a;this.as=e;this.ss=b;this.bs=[];a=0;for(e=this.sketcher.molecules.length;a<e;a++)for(var b=this.sketcher.molecules[a],d=0,j=b.bonds.length;d<j;d++){var m=b.bonds[d];m.a1.isLassoed&&m.a2.isLassoed&&this.bs.push(m)}return!0};d.DeleteContentAction.prototype=new d._Action;d.DeleteContentAction.prototype.innerForward=function(){for(var c=0,e=this.ss.length;c<e;c++)this.sketcher.removeShape(this.ss[c]);for(var b=[],d=[],c=0,e=this.sketcher.molecules.length;c< +e;c++){for(var j=this.sketcher.molecules[c],m=0,g=j.atoms.length;m<g;m++){var l=j.atoms[m];-1===f(l,this.as)&&b.push(l)}m=0;for(g=j.bonds.length;m<g;m++)l=j.bonds[m],-1===f(l,this.bs)&&d.push(l)}this.sketcher.molecules=(new a.Splitter).split({atoms:b,bonds:d})};d.DeleteContentAction.prototype.innerReverse=function(){this.sketcher.shapes=this.sketcher.shapes.concat(this.ss);for(var c=[],e=[],b=0,d=this.sketcher.molecules.length;b<d;b++)var j=this.sketcher.molecules[b],c=c.concat(j.atoms),e=e.concat(j.bonds); +this.sketcher.molecules=(new a.Splitter).split({atoms:c.concat(this.as),bonds:e.concat(this.bs)})}})(ChemDoodle.informatics,ChemDoodle.sketcher.actions,jQuery.inArray);(function(a){a.DeleteShapeAction=function(a,f){this.sketcher=a;this.s=f;return!0};a.DeleteShapeAction.prototype=new a._Action;a.DeleteShapeAction.prototype.innerForward=a.AddShapeAction.prototype.innerReverse;a.DeleteShapeAction.prototype.innerReverse=a.AddShapeAction.prototype.innerForward})(ChemDoodle.sketcher.actions); +(function(a){a.FlipBondAction=function(a){this.b=a;return!0};a.FlipBondAction.prototype=new a._Action;a.FlipBondAction.prototype.innerForward=function(){var a=this.b.a1;this.b.a1=this.b.a2;this.b.a2=a};a.FlipBondAction.prototype.innerReverse=function(){this.innerForward()}})(ChemDoodle.sketcher.actions); +(function(a){a.MoveAction=function(a,f){this.ps=a;this.dif=f;return!0};a.MoveAction.prototype=new a._Action;a.MoveAction.prototype.innerForward=function(){for(var a=0,f=this.ps.length;a<f;a++)this.ps[a].add(this.dif)};a.MoveAction.prototype.innerReverse=function(){for(var a=0,f=this.ps.length;a<f;a++)this.ps[a].sub(this.dif)}})(ChemDoodle.sketcher.actions); +(function(a,d){d.NewMoleculeAction=function(a,c,e){this.sketcher=a;this.as=c;this.bs=e;return!0};d.NewMoleculeAction.prototype=new d._Action;d.NewMoleculeAction.prototype.innerForward=function(){var d=new a.Molecule;d.atoms=d.atoms.concat(this.as);d.bonds=d.bonds.concat(this.bs);d.check();this.sketcher.addMolecule(d)};d.NewMoleculeAction.prototype.innerReverse=function(){this.sketcher.removeMolecule(this.sketcher.getMoleculeByAtom(this.as[0]))}})(ChemDoodle.structures,ChemDoodle.sketcher.actions); +(function(a,d){a.RotateAction=function(a,c,e){this.ps=a;this.dif=c;this.center=e;return!0};a.RotateAction.prototype=new a._Action;a.RotateAction.prototype.innerForward=function(){for(var a=0,c=this.ps.length;a<c;a++){var e=this.ps[a],b=this.center.distance(e),h=this.center.angle(e)+this.dif;e.x=this.center.x+b*d.cos(h);e.y=this.center.y-b*d.sin(h)}};a.RotateAction.prototype.innerReverse=function(){for(var a=0,c=this.ps.length;a<c;a++){var e=this.ps[a],b=this.center.distance(e),h=this.center.angle(e)- +this.dif;e.x=this.center.x+b*d.cos(h);e.y=this.center.y-b*d.sin(h)}}})(ChemDoodle.sketcher.actions,Math); +(function(a){a.SwitchMoleculeAction=function(a,f){this.sketcher=a;this.beforeMols=this.sketcher.molecules;this.beforeShapes=this.sketcher.shapes;this.molA=f;return!0};a.SwitchMoleculeAction.prototype=new a._Action;a.SwitchMoleculeAction.prototype.innerForward=function(){this.sketcher.loadMolecule(this.molA)};a.SwitchMoleculeAction.prototype.innerReverse=function(){this.sketcher.molecules=this.beforeMols;this.sketcher.shapes=this.beforeShapes}})(ChemDoodle.sketcher.actions); +(function(a){a.ToggleAnyAtomAction=function(a){this.a=a;return!0};a.ToggleAnyAtomAction.prototype=new a._Action;a.ToggleAnyAtomAction.prototype.innerForward=function(){this.a.any=!this.a.any};a.ToggleAnyAtomAction.prototype.innerReverse=a.ToggleAnyAtomAction.prototype.innerForward})(ChemDoodle.sketcher.actions); +(function(a){a.HistoryManager=function(a){this.sketcher=a;this.undoStack=[];this.redoStack=[];return!0};a.HistoryManager.prototype.undo=function(){if(0!==this.undoStack.length){this.sketcher.lasso&&this.sketcher.lasso.isActive()&&this.sketcher.lasso.empty();var a=this.undoStack.pop();a.reverse(this.sketcher);this.redoStack.push(a);0===this.undoStack.length&&this.sketcher.toolbarManager.buttonUndo.disable();this.sketcher.toolbarManager.buttonRedo.enable()}};a.HistoryManager.prototype.redo=function(){if(0!== +this.redoStack.length){this.sketcher.lasso&&this.sketcher.lasso.isActive()&&this.sketcher.lasso.empty();var a=this.redoStack.pop();a.forward(this.sketcher);this.undoStack.push(a);this.sketcher.toolbarManager.buttonUndo.enable();0===this.redoStack.length&&this.sketcher.toolbarManager.buttonRedo.disable()}};a.HistoryManager.prototype.pushUndo=function(a){a.forward(this.sketcher);this.undoStack.push(a);0!==this.redoStack.length&&(this.redoStack=[]);this.sketcher.toolbarManager.buttonUndo.enable();this.sketcher.toolbarManager.buttonRedo.disable()}; +a.HistoryManager.prototype.clear=function(){0!==this.undoStack.length&&(this.undoStack=[],this.sketcher.toolbarManager.buttonUndo.disable());0!==this.redoStack.length&&(this.redoStack=[],this.sketcher.toolbarManager.buttonRedo.disable())}})(ChemDoodle.sketcher.actions); +(function(a,d,f,c,e,b,h,j){c._State=function(){return!0};c._State.prototype.setup=function(a){this.sketcher=a};c._State.prototype.clearHover=function(){this.sketcher.hovering&&(this.sketcher.hovering.isHover=!1,this.sketcher.hovering.isSelected=!1,this.sketcher.hovering=void 0)};c._State.prototype.findHoveredObject=function(a,g,e,b){this.clearHover();var i=Infinity,j,c=this.sketcher.specs.bondLength;this.sketcher.isMobile||(c/=this.sketcher.specs.scale);if(g)for(var g=0,d=this.sketcher.molecules.length;g< +d;g++)for(var h=this.sketcher.molecules[g],f=0,r=h.atoms.length;f<r;f++){var v=h.atoms[f];v.isHover=!1;var t=a.p.distance(v);t<c&&t<i&&(i=t,j=v)}if(e){g=0;for(d=this.sketcher.molecules.length;g<d;g++){h=this.sketcher.molecules[g];f=0;for(r=h.bonds.length;f<r;f++)e=h.bonds[f],e.isHover=!1,t=a.p.distance(e.getCenter()),t<c&&t<i&&(i=t,j=e)}}if(b){g=0;for(d=this.sketcher.shapes.length;g<d;g++){b=this.sketcher.shapes[g];b.isHover=!1;b.hoverPoint=void 0;e=b.getPoints();f=0;for(r=e.length;f<r;f++)h=e[f], +t=a.p.distance(h),t<c&&t<i&&(i=t,j=b,b.hoverPoint=h)}if(!j){g=0;for(d=this.sketcher.shapes.length;g<d;g++)b=this.sketcher.shapes[g],b.isOver(a.p,c)&&(j=b)}}j&&(j.isHover=!0,this.sketcher.hovering=j)};c._State.prototype.getOptimumAngle=function(e){var g=this.sketcher.getMoleculeByAtom(e),e=g.getAngles(e),b=0;if(0===e.length)b=j.PI/6;else if(1===e.length){for(var c,b=0,i=g.bonds.length;b<i;b++)g.bonds[b].contains(this.sketcher.hovering)&&(c=g.bonds[b]);3<=c.bondOrder?b=e[0]+j.PI:(g=2*(e[0]%j.PI),b= +a.isBetween(g,0,j.PI/2)||a.isBetween(g,j.PI,3*j.PI/2)?e[0]+2*j.PI/3:e[0]-2*j.PI/3)}else b=a.angleBetweenLargest(e).angle;return b};c._State.prototype.removeStartAtom=function(){this.sketcher.startAtom&&(this.sketcher.startAtom.x=-10,this.sketcher.startAtom.y=-10,this.sketcher.repaint())};c._State.prototype.enter=function(){this.innerenter&&this.innerenter()};c._State.prototype.exit=function(){this.innerexit&&this.innerexit()};c._State.prototype.click=function(a){this.innerclick&&this.innerclick(a)}; +c._State.prototype.rightclick=function(a){this.innerrightclick&&this.innerrightclick(a)};c._State.prototype.dblclick=function(a){this.innerdblclick&&this.innerdblclick(a);if(!this.sketcher.hovering){var a=new e.Point(this.sketcher.width/2,this.sketcher.height/2),g=this.sketcher.getContentBounds();a.x-=(g.maxX+g.minX)/2;a.y-=(g.maxY+g.minY)/2;this.sketcher.historyManager.pushUndo(new f.MoveAction(this.sketcher.getAllPoints(),a))}};c._State.prototype.mousedown=function(a){this.sketcher.lastPoint=a.p; +this.sketcher.isHelp||this.sketcher.isMobile&&10>a.op.distance(this.sketcher.helpPos)?(this.sketcher.isHelp=!1,this.sketcher.repaint(),window.open("http://web.chemdoodle.com/sketcher")):this.innermousedown&&this.innermousedown(a)};c._State.prototype.rightmousedown=function(a){this.innerrightmousedown&&this.innerrightmousedown(a)};c._State.prototype.mousemove=function(a){this.innermousemove&&this.innermousemove(a);this.sketcher.repaint()};c._State.prototype.mouseout=function(a){this.innermouseout&& +this.innermouseout(a)};c._State.prototype.mouseover=function(a){this.innermouseover&&this.innermouseover(a)};c._State.prototype.mouseup=function(a){this.parentAction=void 0;this.innermouseup&&this.innermouseup(a)};c._State.prototype.rightmouseup=function(a){this.innerrightmouseup&&this.innerrightmouseup(a)};c._State.prototype.mousewheel=function(a,e){this.innermousewheel&&this.innermousewheel(a);this.sketcher.specs.scale+=e/10;this.sketcher.checkScale();this.sketcher.repaint()};c._State.prototype.drag= +function(a){this.innerdrag&&this.innerdrag(a);if(!this.sketcher.hovering&&this!==this.sketcher.stateManager.STATE_LASSO&&this!==this.sketcher.stateManager.STATE_SHAPE&&this!==this.sketcher.stateManager.STATE_PUSHER){if(d.SHIFT)if(this.parentAction){var g=this.parentAction.center,b=g.angle(this.sketcher.lastPoint),c=g.angle(a.p),i=c-b;this.parentAction.dif+=i;b=0;for(c=this.parentAction.ps.length;b<c;b++){var h=this.parentAction.ps[b],k=g.distance(h),p=g.angle(h)+i;h.x=g.x+k*j.cos(p);h.y=g.y-k*j.sin(p)}b= +0;for(c=this.sketcher.molecules.length;b<c;b++)this.sketcher.molecules[b].check()}else g=new e.Point(this.sketcher.width/2,this.sketcher.height/2),b=g.angle(this.sketcher.lastPoint),c=g.angle(a.p),this.parentAction=new f.RotateAction(this.sketcher.getAllPoints(),c-b,g),this.sketcher.historyManager.pushUndo(this.parentAction);else{if(!this.sketcher.lastPoint)return;g=new e.Point(a.p.x,a.p.y);g.sub(this.sketcher.lastPoint);if(this.parentAction){this.parentAction.dif.add(g);b=0;for(c=this.parentAction.ps.length;b< +c;b++)this.parentAction.ps[b].add(g);this.sketcher.lasso&&this.sketcher.lasso.isActive()&&(this.sketcher.lasso.bounds.minX+=g.x,this.sketcher.lasso.bounds.maxX+=g.x,this.sketcher.lasso.bounds.minY+=g.y,this.sketcher.lasso.bounds.maxY+=g.y);b=0;for(c=this.sketcher.molecules.length;b<c;b++)this.sketcher.molecules[b].check()}else this.parentAction=new f.MoveAction(this.sketcher.getAllPoints(),g),this.sketcher.historyManager.pushUndo(this.parentAction)}this.sketcher.repaint()}this.sketcher.lastPoint= +a.p};c._State.prototype.keydown=function(c){if(d.CANVAS_DRAGGING===this.sketcher)this.sketcher.lastPoint&&(c.p=this.sketcher.lastPoint,this.drag(c));else if(d.META)90===c.which?this.sketcher.historyManager.undo():89===c.which?this.sketcher.historyManager.redo():83===c.which?this.sketcher.toolbarManager.buttonSave.getElement().click():79===c.which?this.sketcher.toolbarManager.buttonOpen.getElement().click():78===c.which?this.sketcher.toolbarManager.buttonClear.getElement().click():187===c.which||61=== +c.which?this.sketcher.toolbarManager.buttonScalePlus.getElement().click():189===c.which||109===c.which?this.sketcher.toolbarManager.buttonScaleMinus.getElement().click():65===c.which&&!this.sketcher.oneMolecule&&(this.sketcher.toolbarManager.buttonLasso.getElement().click(),this.sketcher.lasso.select(this.sketcher.getAllAtoms(),this.sketcher.shapes));else if(9===c.which){if(!this.sketcher.oneMolecule)if(this.sketcher.lasso.block=!0,this.sketcher.toolbarManager.buttonLasso.getElement().click(),this.sketcher.lasso.block= +!1,d.SHIFT){if(0<this.sketcher.shapes.length){var g=this.sketcher.shapes.length-1;0<this.sketcher.lasso.shapes.length&&(g=h(this.sketcher.lasso.shapes[0],this.sketcher.shapes)+1);g===this.sketcher.shapes.length&&(g=0);this.sketcher.lasso.empty();this.sketcher.lasso.select([],[this.sketcher.shapes[g]])}}else 0<this.sketcher.molecules.length&&(g=this.sketcher.molecules.length-1,0<this.sketcher.lasso.atoms.length&&(g=this.sketcher.getMoleculeByAtom(this.sketcher.lasso.atoms[0]),g=h(g,this.sketcher.molecules)+ +1),g===this.sketcher.molecules.length&&(g=0),this.sketcher.lasso.select(this.sketcher.molecules[g].atoms,[]))}else if(32===c.which)this.sketcher.lasso&&this.sketcher.lasso.empty(),this.sketcher.toolbarManager.buttonSingle.getElement().click();else if(37<=c.which&&40>=c.which){g=new e.Point;switch(c.which){case 37:g.x=-10;break;case 38:g.y=-10;break;case 39:g.x=10;break;case 40:g.y=10}this.sketcher.historyManager.pushUndo(new f.MoveAction(this.sketcher.lasso&&this.sketcher.lasso.isActive()?this.sketcher.lasso.getAllPoints(): +this.sketcher.getAllPoints(),g))}else if(187===c.which||189===c.which||61===c.which||109===c.which)this.sketcher.hovering&&this.sketcher.hovering instanceof e.Atom&&this.sketcher.historyManager.pushUndo(new f.ChangeChargeAction(this.sketcher.hovering,187===c.which||61===c.which?1:-1));else if(8===c.which||127===c.which)this.sketcher.stateManager.STATE_ERASE.handleDelete();else if(48<=c.which&&57>=c.which){if(this.sketcher.hovering){var l=c.which-48,n=[],i=[];if(this.sketcher.hovering instanceof e.Atom)if(g= +this.sketcher.hovering,d.SHIFT){if(2<l&&9>l){var o=this.sketcher.getMoleculeByAtom(this.sketcher.hovering),k=o.getAngles(this.sketcher.hovering),p=3*j.PI/2;0!==k.length&&(p=a.angleBetweenLargest(k).angle);k=this.sketcher.stateManager.STATE_NEW_RING.getRing(this.sketcher.hovering,l,this.sketcher.specs.bondLength,p,!1);-1===h(k[0],o.atoms)&&n.push(k[0]);this.sketcher.bondExists(this.sketcher.hovering,k[0])||i.push(new e.Bond(this.sketcher.hovering,k[0]));for(var q=1,s=k.length;q<s;q++)-1===h(k[q],o.atoms)&& +n.push(k[q]),this.sketcher.bondExists(k[q-1],k[q])||i.push(new e.Bond(k[q-1],k[q]));this.sketcher.bondExists(k[k.length-1],this.sketcher.hovering)||i.push(new e.Bond(k[k.length-1],this.sketcher.hovering))}}else{0===l&&(l=10);for(var r=new e.Point(this.sketcher.hovering.x,this.sketcher.hovering.y),v=this.getOptimumAngle(this.sketcher.hovering),t=this.sketcher.hovering,w=0;w<l;w++){o=v+(1===w%2?j.PI/3:0);r.x+=this.sketcher.specs.bondLength*j.cos(o);r.y-=this.sketcher.specs.bondLength*j.sin(o);for(var u= +new e.Atom("C",r.x,r.y),x=Infinity,y,q=0,s=this.sketcher.molecules.length;q<s;q++){o=this.sketcher.molecules[q];k=0;for(p=o.atoms.length;k<p;k++){var z=o.atoms[k],A=z.distance(u);A<x&&(x=A,y=z)}}5>x?u=y:n.push(u);this.sketcher.bondExists(t,u)||i.push(new e.Bond(t,u));t=u}}else if(this.sketcher.hovering instanceof e.Bond)if(g=this.sketcher.hovering.a1,d.SHIFT){if(2<l&&9>l){k=this.sketcher.stateManager.STATE_NEW_RING.getOptimalRing(this.sketcher.hovering,l);l=this.sketcher.hovering.a2;p=this.sketcher.hovering.a1; +o=this.sketcher.getMoleculeByAtom(l);k[0]===this.sketcher.hovering.a1&&(l=this.sketcher.hovering.a1,p=this.sketcher.hovering.a2);-1===h(k[1],o.atoms)&&n.push(k[1]);this.sketcher.bondExists(l,k[1])||i.push(new e.Bond(l,k[1]));q=2;for(s=k.length;q<s;q++)-1===h(k[q],o.atoms)&&n.push(k[q]),this.sketcher.bondExists(k[q-1],k[q])||i.push(new e.Bond(k[q-1],k[q]));this.sketcher.bondExists(k[k.length-1],p)||i.push(new e.Bond(k[k.length-1],p))}}else 0<l&&4>l&&this.sketcher.hovering.bondOrder!==l&&this.sketcher.historyManager.pushUndo(new f.ChangeBondAction(this.sketcher.hovering, +l,e.Bond.STEREO_NONE));(0!==n.length||0!==i.length)&&this.sketcher.historyManager.pushUndo(new f.AddAction(this.sketcher,g,n,i))}}else if(65<=c.which&&90>=c.which&&this.sketcher.hovering)if(this.sketcher.hovering instanceof e.Atom){g=String.fromCharCode(c.which);o=!1;k=0;for(p=b.length;k<p;k++)if(this.sketcher.hovering.label.charAt(0)===g)b[k]===this.sketcher.hovering.label?o=!0:b[k].charAt(0)===g&&(o&&!i?i=b[k]:n||(n=b[k]));else if(b[k].charAt(0)===g){n=b[k];break}u="C";i?u=i:n&&(u=n);u!==this.sketcher.hovering.label&& +this.sketcher.historyManager.pushUndo(new f.ChangeLabelAction(this.sketcher.hovering,u))}else this.sketcher.hovering instanceof e.Bond&&70===c.which&&this.sketcher.historyManager.pushUndo(new f.FlipBondAction(this.sketcher.hovering));this.innerkeydown&&this.innerkeydown(c)};c._State.prototype.keypress=function(a){this.innerkeypress&&this.innerkeypress(a)};c._State.prototype.keyup=function(a){d.CANVAS_DRAGGING===this.sketcher&&this.sketcher.lastPoint&&(a.p=this.sketcher.lastPoint,this.sketcher.drag(a)); +this.innerkeyup&&this.innerkeyup(a)}})(ChemDoodle.math,ChemDoodle.monitor,ChemDoodle.sketcher.actions,ChemDoodle.sketcher.states,ChemDoodle.structures,ChemDoodle.SYMBOLS,jQuery.inArray,Math); +(function(a,d,f,c){c.AtomQueryState=function(a){this.setup(a);this.mode=c.LabelState.MODE_ANY;return!0};c.AtomQueryState.prototype=new c._State;c.AtomQueryState.prototype.innermouseup=function(){if(this.mode===c.AtomQueryState.MODE_ANY)this.sketcher.historyManager.pushUndo(new d.ToggleAnyAtomAction(this.sketcher.hovering));else if(this.mode===c.AtomQueryState.MODE_RGROUP){var a=this,b=this.sketcher.hovering;this.sketcher.dialogManager.inputDialog.doneFunction=function(c){c.match(/[0-9]|\-/g)&&a.sketcher.historyManager.pushUndo(new d.ChangeRgroupAction(b, +parseInt(c)))};this.sketcher.dialogManager.inputDialog.getElement().dialog("open")}};c.AtomQueryState.prototype.innermousemove=function(a){this.findHoveredObject(a,!0)};c.AtomQueryState.MODE_ANY=1;c.AtomQueryState.MODE_RGROUP=2})(ChemDoodle.structures,ChemDoodle.sketcher.actions,ChemDoodle.sketcher.gui.DialogManager,ChemDoodle.sketcher.states); +(function(a,d){d.ChargeState=function(a){this.setup(a);this.delta=1;return!0};d.ChargeState.prototype=new d._State;d.ChargeState.prototype.innermouseup=function(){this.sketcher.hovering&&this.sketcher.historyManager.pushUndo(new a.ChangeChargeAction(this.sketcher.hovering,this.delta))};d.ChargeState.prototype.innermousemove=function(a){this.findHoveredObject(a,!0,!1)}})(ChemDoodle.sketcher.actions,ChemDoodle.sketcher.states); +(function(a,d,f,c,e){d.EraseState=function(a){this.setup(a);return!0};d.EraseState.prototype=new d._State;d.EraseState.prototype.handleDelete=function(){if(this.sketcher.lasso&&this.sketcher.lasso.isActive())this.sketcher.historyManager.pushUndo(new a.DeleteContentAction(this.sketcher,this.sketcher.lasso.atoms,this.sketcher.lasso.shapes)),this.sketcher.lasso.empty();else if(this.sketcher.hovering){if(this.sketcher.hovering instanceof f.Atom)if(this.sketcher.oneMolecule){for(var b=this.sketcher.molecules[0], +h=0,j=b.atoms.length;h<j;h++)b.atoms[h].visited=!1;var d=[],g=[];this.sketcher.hovering.visited=!0;h=0;for(j=b.bonds.length;h<j;h++){var l=b.bonds[h];if(l.contains(this.sketcher.hovering)){var n=[],i=[],o=new f.Queue;for(o.enqueue(l.getNeighbor(this.sketcher.hovering));!o.isEmpty();)if(l=o.dequeue(),!l.visited){l.visited=!0;n.push(l);for(var k=0,p=b.bonds.length;k<p;k++){var q=b.bonds[k];q.contains(l)&&!q.getNeighbor(l).visited&&(o.enqueue(q.getNeighbor(l)),i.push(q))}}d.push(n);g.push(i)}}k=l=-1; +h=0;for(j=d.length;h<j;h++)d[h].length>l&&(k=h,l=d[h].length);if(-1<k){for(var h=[],j=[],s,n=0,i=b.atoms.length;n<i;n++)l=b.atoms[n],-1===e(l,d[k])?h.push(l):s||(s=l);n=0;for(i=b.bonds.length;n<i;n++)l=b.bonds[n],-1===e(l,g[k])&&j.push(l);this.sketcher.historyManager.pushUndo(new a.DeleteAction(this.sketcher,s,h,j))}else this.sketcher.historyManager.pushUndo(new a.ClearAction(this.sketcher))}else b=this.sketcher.getMoleculeByAtom(this.sketcher.hovering),this.sketcher.historyManager.pushUndo(new a.DeleteAction(this.sketcher, +b.atoms[0],[this.sketcher.hovering],b.getBonds(this.sketcher.hovering)));else this.sketcher.hovering instanceof f.Bond?(!this.sketcher.oneMolecule||!this.sketcher.hovering.ring)&&this.sketcher.historyManager.pushUndo(new a.DeleteAction(this.sketcher,this.sketcher.hovering.a1,void 0,[this.sketcher.hovering])):this.sketcher.hovering instanceof c._Shape&&this.sketcher.historyManager.pushUndo(new a.DeleteShapeAction(this.sketcher,this.sketcher.hovering));this.sketcher.hovering=void 0;this.sketcher.repaint()}n= +0;for(i=this.sketcher.shapes.length;n<i;n++)if(g=this.sketcher.shapes[n],g instanceof c.Pusher){d=s=!1;h=0;for(j=this.sketcher.molecules.length;h<j;h++){b=this.sketcher.molecules[h];k=0;for(p=b.atoms.length;k<p;k++)l=b.atoms[k],l===g.o1?s=!0:l===g.o2&&(d=!0);k=0;for(p=b.bonds.length;k<p;k++)l=b.bonds[k],l===g.o1?s=!0:l===g.o2&&(d=!0)}if(!s||!d)this.sketcher.historyManager.undoStack[this.sketcher.historyManager.undoStack.length-1].ss.push(g),this.sketcher.removeShape(g)}};d.EraseState.prototype.innermouseup= +function(){this.handleDelete()};d.EraseState.prototype.innermousemove=function(a){this.findHoveredObject(a,!0,!0)}})(ChemDoodle.sketcher.actions,ChemDoodle.sketcher.states,ChemDoodle.structures,ChemDoodle.structures.d2,jQuery.inArray); +(function(a,d,f){f.LabelState=function(a){this.setup(a);this.label="C";return!0};f.LabelState.prototype=new f._State;f.LabelState.prototype.innermousedown=function(){this.newMolAllowed=!0};f.LabelState.prototype.innermouseup=function(c){this.sketcher.hovering?this.label!==this.sketcher.hovering.label&&this.sketcher.historyManager.pushUndo(new d.ChangeLabelAction(this.sketcher.hovering,this.label)):!this.sketcher.oneMolecule&&this.newMolAllowed&&(this.sketcher.historyManager.pushUndo(new d.NewMoleculeAction(this.sketcher, +[new a.Atom(this.label,c.p.x,c.p.y)],[])),this.sketcher.isMobile||this.mousemove(c))};f.LabelState.prototype.innermousemove=function(a){this.findHoveredObject(a,!0,!1)};f.LabelState.prototype.innerdrag=function(){this.newMolAllowed=!1}})(ChemDoodle.structures,ChemDoodle.sketcher.actions,ChemDoodle.sketcher.states); +(function(a,d,f,c,e,b,h,j){b.LassoState=function(a){this.setup(a);return!0};b.LassoState.prototype=new b._State;var m,g=!1;b.LassoState.prototype.innerdrag=function(a){this.inDrag=!0;if(this.sketcher.lasso.isActive()&&m){if(this.sketcher.lastPoint)if(1===m){var b=new f.Point(a.p.x,a.p.y);b.sub(this.sketcher.lastPoint);if(this.parentAction){this.parentAction.dif.add(b);for(var a=0,i=this.parentAction.ps.length;a<i;a++)this.parentAction.ps[a].add(b);a=0;for(i=this.sketcher.molecules.length;a<i;a++)this.sketcher.molecules[a].check(); +this.sketcher.lasso.bounds.minX+=b.x;this.sketcher.lasso.bounds.maxX+=b.x;this.sketcher.lasso.bounds.minY+=b.y;this.sketcher.lasso.bounds.maxY+=b.y;this.sketcher.repaint()}else this.parentAction=new e.MoveAction(this.sketcher.lasso.getAllPoints(),b),this.sketcher.historyManager.pushUndo(this.parentAction)}else if(2===m)if(this.parentAction){var b=this.parentAction.center,i=b.angle(this.sketcher.lastPoint),a=b.angle(a.p),g=a-i;this.parentAction.dif+=g;a=0;for(i=this.parentAction.ps.length;a<i;a++){var h= +this.parentAction.ps[a],p=b.distance(h),q=b.angle(h)+g;h.x=b.x+p*j.cos(q);h.y=b.y-p*j.sin(q)}a=0;for(i=this.sketcher.molecules.length;a<i;a++)this.sketcher.molecules[a].check();this.sketcher.lasso.setBounds();this.sketcher.repaint()}else b=new f.Point((this.sketcher.lasso.bounds.minX+this.sketcher.lasso.bounds.maxX)/2,(this.sketcher.lasso.bounds.minY+this.sketcher.lasso.bounds.maxY)/2),i=b.angle(this.sketcher.lastPoint),a=b.angle(a.p),this.parentAction=new e.RotateAction(this.sketcher.lasso.getAllPoints(), +a-i,b),this.sketcher.historyManager.pushUndo(this.parentAction)}else if(this.sketcher.hovering){if(this.sketcher.lastPoint)if(b=new f.Point(a.p.x,a.p.y),b.sub(this.sketcher.lastPoint),this.parentAction){this.parentAction.dif.add(b);a=0;for(i=this.parentAction.ps.length;a<i;a++)this.parentAction.ps[a].add(b);a=0;for(i=this.sketcher.molecules.length;a<i;a++)this.sketcher.molecules[a].check();this.sketcher.repaint()}else this.sketcher.hovering instanceof f.Atom?i=d.SHIFT?[this.sketcher.hovering]:this.sketcher.getMoleculeByAtom(this.sketcher.hovering).atoms: +this.sketcher.hovering instanceof f.Bond?i=[this.sketcher.hovering.a1,this.sketcher.hovering.a2]:this.sketcher.hovering instanceof c._Shape&&(i=this.sketcher.hovering.hoverPoint?[this.sketcher.hovering.hoverPoint]:this.sketcher.hovering.getPoints()),this.parentAction=new e.MoveAction(i,b),this.sketcher.historyManager.pushUndo(this.parentAction)}else this.sketcher.lasso.addPoint(a.p),this.sketcher.repaint()};b.LassoState.prototype.innermousedown=function(b){this.inDrag=!1;if(this.sketcher.lasso.isActive()&& +!d.SHIFT){m=void 0;var g=25/this.sketcher.specs.scale;a.isBetween(b.p.x,this.sketcher.lasso.bounds.minX,this.sketcher.lasso.bounds.maxX)&&a.isBetween(b.p.y,this.sketcher.lasso.bounds.minY,this.sketcher.lasso.bounds.maxY)?m=1:a.isBetween(b.p.x,this.sketcher.lasso.bounds.minX-g,this.sketcher.lasso.bounds.maxX+g)&&a.isBetween(b.p.y,this.sketcher.lasso.bounds.minY-g,this.sketcher.lasso.bounds.maxY+g)&&(m=2)}else this.sketcher.hovering||(this.sketcher.lastPoint=void 0,this.sketcher.lasso.addPoint(b.p), +this.sketcher.repaint())};b.LassoState.prototype.innermouseup=function(a){m||this.sketcher.hovering||this.sketcher.lasso.select();this.innermousemove(a)};b.LassoState.prototype.innerclick=function(){if(!m&&!this.inDrag)if(this.sketcher.hovering){var a=[],b=[];this.sketcher.hovering instanceof f.Atom?a.push(this.sketcher.hovering):this.sketcher.hovering instanceof f.Bond?(a.push(this.sketcher.hovering.a1),a.push(this.sketcher.hovering.a2)):this.sketcher.hovering instanceof c._Shape&&b.push(this.sketcher.hovering); +this.sketcher.lasso.select(a,b)}else this.sketcher.lasso.isActive()&&this.sketcher.lasso.empty();m=void 0};b.LassoState.prototype.innermousemove=function(b){if(this.sketcher.lasso.isActive()){if(!d.SHIFT){var e=!1,i=25/this.sketcher.specs.scale;if((!a.isBetween(b.p.x,this.sketcher.lasso.bounds.minX,this.sketcher.lasso.bounds.maxX)||!a.isBetween(b.p.y,this.sketcher.lasso.bounds.minY,this.sketcher.lasso.bounds.maxY))&&a.isBetween(b.p.x,this.sketcher.lasso.bounds.minX-i,this.sketcher.lasso.bounds.maxX+ +i)&&a.isBetween(b.p.y,this.sketcher.lasso.bounds.minY-i,this.sketcher.lasso.bounds.maxY+i))e=!0;e!=g&&(g=e,this.sketcher.repaint())}}else e=this.sketcher.lasso.mode!==h.Lasso.MODE_LASSO_SHAPES,this.findHoveredObject(b,e,e,!0)};b.LassoState.prototype.innerdblclick=function(){this.sketcher.lasso.isActive()&&this.sketcher.lasso.empty()};b.LassoState.prototype.draw=function(a){if(g&&this.sketcher.lasso.bounds){a.fillStyle="rgba(0,0,255,.1)";var b=25/this.sketcher.specs.scale,i=this.sketcher.lasso.bounds; +a.beginPath();a.rect(i.minX-b,i.minY-b,i.maxX-i.minX+2*b,b);a.rect(i.minX-b,i.maxY,i.maxX-i.minX+2*b,b);a.rect(i.minX-b,i.minY,b,i.maxY-i.minY);a.rect(i.maxX,i.minY,b,i.maxY-i.minY);a.fill()}}})(ChemDoodle.math,ChemDoodle.monitor,ChemDoodle.structures,ChemDoodle.structures.d2,ChemDoodle.sketcher.actions,ChemDoodle.sketcher.states,ChemDoodle.sketcher.tools,Math); +(function(a,d){d.LonePairState=function(a){this.setup(a);this.delta=1;return!0};d.LonePairState.prototype=new d._State;d.LonePairState.prototype.innermouseup=function(){0>this.delta&&1>this.sketcher.hovering.numLonePair||this.sketcher.hovering&&this.sketcher.historyManager.pushUndo(new a.ChangeLonePairAction(this.sketcher.hovering,this.delta))};d.LonePairState.prototype.innermousemove=function(a){this.findHoveredObject(a,!0,!1)}})(ChemDoodle.sketcher.actions,ChemDoodle.sketcher.states); +(function(a,d,f){d.MoveState=function(a){this.setup(a);this.action=void 0;return!0};d.MoveState.prototype=new d._State;d.MoveState.prototype.innerdrag=function(c){if(this.sketcher.hovering)if(this.action){c=new f.Point(c.p.x,c.p.y);c.sub(this.sketcher.lastPoint);this.action.dif.add(c);for(var e=0,b=this.action.as.length;e<b;e++)this.action.as[e].add(c);e=0;for(b=this.sketcher.molecules.length;e<b;e++)this.sketcher.molecules[e].check();this.sketcher.repaint()}else e=[],c=new f.Point(c.p.x,c.p.y),this.sketcher.hovering instanceof +f.Atom?(c.sub(this.sketcher.hovering),e[0]=this.sketcher.hovering):this.sketcher.hovering instanceof f.Bond&&(c.sub(this.sketcher.lastPoint),e[0]=this.sketcher.hovering.a1,e[1]=this.sketcher.hovering.a2),this.action=new a.MoveAction(e,c),this.sketcher.historyManager.pushUndo(this.action)};d.MoveState.prototype.innermousemove=function(a){this.findHoveredObject(a,!0,!0)};d.MoveState.prototype.innermouseup=function(){this.action=void 0}})(ChemDoodle.sketcher.actions,ChemDoodle.sketcher.states,ChemDoodle.structures); +(function(a,d,f,c,e){f.NewBondState=function(a){this.setup(a);this.bondOrder=1;this.stereo=c.Bond.STEREO_NONE;return!0};f.NewBondState.prototype=new f._State;f.NewBondState.prototype.incrementBondOrder=function(a){this.newMolAllowed=!1;1===this.bondOrder&&this.stereo===c.Bond.STEREO_NONE?this.sketcher.historyManager.pushUndo(new d.ChangeBondAction(a)):a.bondOrder===this.bondOrder&&a.stereo===this.stereo?(1===a.bondOrder&&a.stereo!==c.Bond.STEREO_NONE||2===a.bondOrder&&a.stereo===c.Bond.STEREO_NONE)&& +this.sketcher.historyManager.pushUndo(new d.FlipBondAction(a)):this.sketcher.historyManager.pushUndo(new d.ChangeBondAction(a,this.bondOrder,this.stereo))};f.NewBondState.prototype.innerexit=function(){this.removeStartAtom()};f.NewBondState.prototype.innerdrag=function(b){this.newMolAllowed=!1;this.removeStartAtom();if(this.sketcher.hovering instanceof c.Atom){if(15>b.p.distance(this.sketcher.hovering)){var d=this.getOptimumAngle(this.sketcher.hovering),b=this.sketcher.hovering.x+this.sketcher.specs.bondLength* +e.cos(d),d=this.sketcher.hovering.y-this.sketcher.specs.bondLength*e.sin(d);this.sketcher.tempAtom=new c.Atom("C",b,d,0)}else a.ALT&&a.SHIFT?this.sketcher.tempAtom=new c.Atom("C",b.p.x,b.p.y,0):(d=this.sketcher.hovering.angle(b.p),b=this.sketcher.hovering.distance(b.p),a.SHIFT||(b=this.sketcher.specs.bondLength),a.ALT||(d=e.floor((d+e.PI/12)/(e.PI/6))*e.PI/6),this.sketcher.tempAtom=new c.Atom("C",this.sketcher.hovering.x+b*e.cos(d),this.sketcher.hovering.y-b*e.sin(d),0));d=0;for(b=this.sketcher.molecules.length;d< +b;d++)for(var j=this.sketcher.molecules[d],f=0,g=j.atoms.length;f<g;f++){var l=j.atoms[f];5>l.distance(this.sketcher.tempAtom)&&(this.sketcher.tempAtom.x=l.x,this.sketcher.tempAtom.y=l.y,this.sketcher.tempAtom.isOverlap=!0)}this.sketcher.repaint()}};f.NewBondState.prototype.innerclick=function(a){!this.sketcher.hovering&&!this.sketcher.oneMolecule&&this.newMolAllowed&&(this.sketcher.historyManager.pushUndo(new d.NewMoleculeAction(this.sketcher,[new c.Atom("C",a.p.x,a.p.y)],[])),this.sketcher.isMobile|| +this.mousemove(a))};f.NewBondState.prototype.innermousedown=function(a){this.newMolAllowed=!0;if(this.sketcher.hovering instanceof c.Atom)this.sketcher.hovering.isHover=!1,this.sketcher.hovering.isSelected=!0,this.drag(a);else if(this.sketcher.hovering instanceof c.Bond){this.sketcher.hovering.isHover=!1;this.incrementBondOrder(this.sketcher.hovering);for(var a=0,e=this.sketcher.molecules.length;a<e;a++)this.sketcher.molecules[a].check();this.sketcher.repaint()}};f.NewBondState.prototype.innermouseup= +function(a){if(this.sketcher.tempAtom&&this.sketcher.hovering){var e=[],j=[],f=!0;if(this.sketcher.tempAtom.isOverlap){for(var g=0,l=this.sketcher.molecules.length;g<l;g++)for(var n=this.sketcher.molecules[g],i=0,o=n.atoms.length;i<o;i++){var k=n.atoms[i];5>k.distance(this.sketcher.tempAtom)&&(this.sketcher.tempAtom=k)}if(g=this.sketcher.getBond(this.sketcher.hovering,this.sketcher.tempAtom))this.incrementBondOrder(g),f=!1}else e.push(this.sketcher.tempAtom);f&&(j[0]=new c.Bond(this.sketcher.hovering, +this.sketcher.tempAtom,this.bondOrder),j[0].stereo=this.stereo,this.sketcher.historyManager.pushUndo(new d.AddAction(this.sketcher,j[0].a1,e,j)))}this.sketcher.tempAtom=void 0;this.sketcher.isMobile||this.mousemove(a)};f.NewBondState.prototype.innermousemove=function(a){this.sketcher.tempAtom||(this.findHoveredObject(a,!0,!0),this.sketcher.startAtom&&(this.sketcher.hovering?(this.sketcher.startAtom.x=-10,this.sketcher.startAtom.y=-10):(this.sketcher.startAtom.x=a.p.x,this.sketcher.startAtom.y=a.p.y)))}; +f.NewBondState.prototype.innermouseout=function(){this.removeStartAtom()}})(ChemDoodle.monitor,ChemDoodle.sketcher.actions,ChemDoodle.sketcher.states,ChemDoodle.structures,Math); +(function(a,d,f,c,e,b,h){c.NewRingState=function(a){this.setup(a);this.numSides=6;this.unsaturated=!1;return!0};c.NewRingState.prototype=new c._State;c.NewRingState.prototype.getRing=function(a,b,g,c,d){for(var i=h.PI-2*h.PI/b,c=c+i/2,f=[],k=0;k<b-1;k++){var p=0===k?new e.Atom("C",a.x,a.y):new e.Atom("C",f[f.length-1].x,f[f.length-1].y);p.x+=g*h.cos(c);p.y-=g*h.sin(c);f.push(p);c+=h.PI+i}k=0;for(a=this.sketcher.molecules.length;k<a;k++){b=this.sketcher.molecules[k];g=0;for(c=b.atoms.length;g<c;g++)b.atoms[g].isOverlap= +!1}k=0;for(a=f.length;k<a;k++){for(var i=Infinity,q,p=0,s=this.sketcher.molecules.length;p<s;p++){b=this.sketcher.molecules[p];g=0;for(c=b.atoms.length;g<c;g++){var r=b.atoms[g].distance(f[k]);r<i&&(i=r,q=b.atoms[g])}}5>i&&(f[k]=q,d&&(q.isOverlap=!0))}return f};c.NewRingState.prototype.getOptimalRing=function(a,b){for(var e=h.PI/2-h.PI/b,c=a.a1.distance(a.a2),d=this.getRing(a.a1,b,c,a.a1.angle(a.a2)-e,!1),e=this.getRing(a.a2,b,c,a.a2.angle(a.a1)-e,!1),i=c=0,f=1,k=d.length;f<k;f++)for(var p=0,q=this.sketcher.molecules.length;p< +q;p++)for(var s=this.sketcher.molecules[p],r=0,v=s.atoms.length;r<v;r++)var t=s.atoms[r].distance(d[f]),w=s.atoms[r].distance(e[f]),c=c+h.min(1E8,1/(t*t)),i=i+h.min(1E8,1/(w*w));return c<i?d:e};c.NewRingState.prototype.innerexit=function(){this.removeStartAtom()};c.NewRingState.prototype.innerdrag=function(c){this.newMolAllowed=!1;this.removeStartAtom();if(this.sketcher.hovering instanceof e.Atom){var f=0,g=0;if(15>c.p.distance(this.sketcher.hovering))c=this.sketcher.getMoleculeByAtom(this.sketcher.hovering).getAngles(this.sketcher.hovering), +f=0===c.length?3*h.PI/2:a.angleBetweenLargest(c).angle,g=this.sketcher.specs.bondLength;else if(f=this.sketcher.hovering.angle(c.p),g=this.sketcher.hovering.distance(c.p),!d.ALT||!d.SHIFT)d.SHIFT||(g=this.sketcher.specs.bondLength),d.ALT||(f=h.floor((f+h.PI/12)/(h.PI/6))*h.PI/6);this.sketcher.tempRing=this.getRing(this.sketcher.hovering,this.numSides,g,f,!0);this.sketcher.repaint()}else if(this.sketcher.hovering instanceof e.Bond){f=a.distanceFromPointToLineInclusive(c.p,this.sketcher.hovering.a1, +this.sketcher.hovering.a2);if(-1!==f&&7>=f)c=this.getOptimalRing(this.sketcher.hovering,this.numSides);else{for(var g=h.PI/2-h.PI/this.numSides,l=this.sketcher.hovering.a1.distance(this.sketcher.hovering.a2),f=this.getRing(this.sketcher.hovering.a1,this.numSides,l,this.sketcher.hovering.a1.angle(this.sketcher.hovering.a2)-g,!1),g=this.getRing(this.sketcher.hovering.a2,this.numSides,l,this.sketcher.hovering.a2.angle(this.sketcher.hovering.a1)-g,!1),n=new e.Point,l=new e.Point,i=1,o=f.length;i<o;i++)n.add(f[i]), +l.add(g[i]);n.x/=f.length-1;n.y/=f.length-1;l.x/=g.length-1;l.y/=g.length-1;n=n.distance(c.p);l=l.distance(c.p);c=g;n<l&&(c=f)}f=1;for(g=c.length;f<g;f++)-1!==b(c[f],this.sketcher.getAllAtoms())&&(c[f].isOverlap=!0);this.sketcher.tempRing=c;this.sketcher.repaint()}};c.NewRingState.prototype.innerclick=function(a){!this.sketcher.hovering&&!this.sketcher.oneMolecule&&this.newMolAllowed&&(this.sketcher.historyManager.pushUndo(new f.NewMoleculeAction(this.sketcher,[new e.Atom("C",a.p.x,a.p.y)],[])),this.sketcher.isMobile|| +this.mousemove(a))};c.NewRingState.prototype.innermousedown=function(a){this.newMolAllowed=!0;this.sketcher.hovering&&(this.sketcher.hovering.isHover=!1,this.sketcher.hovering.isSelected=!0,this.drag(a))};c.NewRingState.prototype.innermouseup=function(a){if(this.sketcher.tempRing&&this.sketcher.hovering){var c=[],g=[],d=this.sketcher.getAllAtoms();if(this.sketcher.hovering instanceof e.Atom){-1===b(this.sketcher.tempRing[0],d)&&c.push(this.sketcher.tempRing[0]);this.sketcher.bondExists(this.sketcher.hovering, +this.sketcher.tempRing[0])||g.push(new e.Bond(this.sketcher.hovering,this.sketcher.tempRing[0]));for(var h=1,i=this.sketcher.tempRing.length;h<i;h++)-1===b(this.sketcher.tempRing[h],d)&&c.push(this.sketcher.tempRing[h]),this.sketcher.bondExists(this.sketcher.tempRing[h-1],this.sketcher.tempRing[h])||g.push(new e.Bond(this.sketcher.tempRing[h-1],this.sketcher.tempRing[h],1===h%2&&this.unsaturated?2:1));this.sketcher.bondExists(this.sketcher.tempRing[this.sketcher.tempRing.length-1],this.sketcher.hovering)|| +g.push(new e.Bond(this.sketcher.tempRing[this.sketcher.tempRing.length-1],this.sketcher.hovering,this.unsaturated?2:1))}else if(this.sketcher.hovering instanceof e.Bond){var h=this.sketcher.hovering.a2,o=this.sketcher.hovering.a1;this.sketcher.tempRing[0]===this.sketcher.hovering.a1&&(h=this.sketcher.hovering.a1,o=this.sketcher.hovering.a2);-1===b(this.sketcher.tempRing[1],d)&&c.push(this.sketcher.tempRing[1]);this.sketcher.bondExists(h,this.sketcher.tempRing[1])||g.push(new e.Bond(h,this.sketcher.tempRing[1])); +h=2;for(i=this.sketcher.tempRing.length;h<i;h++)-1===b(this.sketcher.tempRing[h],d)&&c.push(this.sketcher.tempRing[h]),this.sketcher.bondExists(this.sketcher.tempRing[h-1],this.sketcher.tempRing[h])||g.push(new e.Bond(this.sketcher.tempRing[h-1],this.sketcher.tempRing[h],0===h%2&&this.unsaturated?2:1));this.sketcher.bondExists(this.sketcher.tempRing[this.sketcher.tempRing.length-1],o)||g.push(new e.Bond(this.sketcher.tempRing[this.sketcher.tempRing.length-1],o))}(0!==c.length||0!==g.length)&&this.sketcher.historyManager.pushUndo(new f.AddAction(this.sketcher, +g[0].a1,c,g));c=0;for(g=d.length;c<g;c++)d[c].isOverlap=!1}this.sketcher.tempRing=void 0;this.sketcher.isMobile||this.mousemove(a)};c.NewRingState.prototype.innermousemove=function(a){this.sketcher.tempAtom||(this.findHoveredObject(a,!0,!0),this.sketcher.startAtom&&(this.sketcher.hovering?(this.sketcher.startAtom.x=-10,this.sketcher.startAtom.y=-10):(this.sketcher.startAtom.x=a.p.x,this.sketcher.startAtom.y=a.p.y)))};c.NewRingState.prototype.innermouseout=function(){this.removeStartAtom()}})(ChemDoodle.math, +ChemDoodle.monitor,ChemDoodle.sketcher.actions,ChemDoodle.sketcher.states,ChemDoodle.structures,jQuery.inArray,Math); +(function(a,d,f,c,e){e.PusherState=function(a){this.setup(a);this.numElectron=1;return!0};e.PusherState.prototype=new e._State;e.PusherState.prototype.innermousedown=function(){this.sketcher.hovering&&(this.start=this.sketcher.hovering)};e.PusherState.prototype.innerdrag=function(a){this.start&&(this.end=new d.Point(a.p.x,a.p.y),this.findHoveredObject(a,!0,!0),this.sketcher.repaint())};e.PusherState.prototype.innermouseup=function(){if(this.start&&this.sketcher.hovering&&this.sketcher.hovering!== +this.start){for(var a,e=!1,d=0,m=this.sketcher.shapes.length;d<m;d++){var g=this.sketcher.shapes[d];g instanceof f.Pusher&&(g.o1===this.start&&g.o2===this.sketcher.hovering?a=g:g.o2===this.start&&g.o1===this.sketcher.hovering&&(a=g,e=!0))}a?(e&&this.sketcher.historyManager.pushUndo(new c.DeleteShapeAction(this.sketcher,a)),this.end=this.start=void 0,this.sketcher.repaint()):(a=new f.Pusher(this.start,this.sketcher.hovering,this.numElectron),this.end=this.start=void 0,this.sketcher.historyManager.pushUndo(new c.AddShapeAction(this.sketcher, +a)))}else this.end=this.start=void 0,this.sketcher.repaint()};e.PusherState.prototype.innermousemove=function(a){this.findHoveredObject(a,!0,!0);this.sketcher.repaint()};e.PusherState.prototype.draw=function(b){if(this.start&&this.end){b.strokeStyle="#00FF00";b.fillStyle="#00FF00";b.lineWidth=1;var e=this.start instanceof d.Atom?this.start:this.start.getCenter(),c=this.end;this.sketcher.hovering&&this.sketcher.hovering!==this.start&&(c=this.sketcher.hovering instanceof d.Atom?this.sketcher.hovering: +this.sketcher.hovering.getCenter());b.beginPath();b.moveTo(e.x,e.y);a.contextHashTo(b,e.x,e.y,c.x,c.y,2,2);b.stroke()}}})(ChemDoodle.extensions,ChemDoodle.structures,ChemDoodle.structures.d2,ChemDoodle.sketcher.actions,ChemDoodle.sketcher.states); +(function(a,d){d.RadicalState=function(a){this.setup(a);this.delta=1;return!0};d.RadicalState.prototype=new d._State;d.RadicalState.prototype.innermouseup=function(){0>this.delta&&1>this.sketcher.hovering.numRadical||this.sketcher.hovering&&this.sketcher.historyManager.pushUndo(new a.ChangeRadicalAction(this.sketcher.hovering,this.delta))};d.RadicalState.prototype.innermousemove=function(a){this.findHoveredObject(a,!0,!1)}})(ChemDoodle.sketcher.actions,ChemDoodle.sketcher.states); +(function(a,d,f,c,e,b,h){b.ShapeState=function(a){this.setup(a);this.shapeType=b.ShapeState.LINE;return!0};b.ShapeState.prototype=new b._State;b.ShapeState.prototype.innermousedown=function(a){this.end=this.start=new f.Point(a.p.x,a.p.y)};b.ShapeState.prototype.innerdrag=function(a){this.end=new f.Point(a.p.x,a.p.y);if(!d.ALT){var a=this.start.angle(this.end),b=this.start.distance(this.end);d.ALT||(a=h.floor((a+h.PI/12)/(h.PI/6))*h.PI/6);this.end.x=this.start.x+b*h.cos(a);this.end.y=this.start.y- +b*h.sin(a)}this.sketcher.repaint()};b.ShapeState.prototype.innermouseup=function(){if(this.start&&this.end){var a;this.shapeType>=b.ShapeState.LINE&&this.shapeType<=b.ShapeState.ARROW_RETROSYNTHETIC&&(a=new c.Line(this.start,this.end),this.shapeType===b.ShapeState.ARROW_SYNTHETIC?a.arrowType=c.Line.ARROW_SYNTHETIC:this.shapeType===b.ShapeState.ARROW_RETROSYNTHETIC&&(a.arrowType=c.Line.ARROW_RETROSYNTHETIC));this.end=this.start=void 0;a&&this.sketcher.historyManager.pushUndo(new e.AddShapeAction(this.sketcher, +a))}};b.ShapeState.prototype.draw=function(b){this.start&&this.end&&(b.strokeStyle="#00FF00",b.fillStyle="#00FF00",b.lineWidth=1,b.beginPath(),b.moveTo(this.start.x,this.start.y),a.contextHashTo(b,this.start.x,this.start.y,this.end.x,this.end.y,2,2),b.stroke())};b.ShapeState.LINE=1;b.ShapeState.ARROW_SYNTHETIC=2;b.ShapeState.ARROW_RETROSYNTHETIC=3})(ChemDoodle.extensions,ChemDoodle.monitor,ChemDoodle.structures,ChemDoodle.structures.d2,ChemDoodle.sketcher.actions,ChemDoodle.sketcher.states,Math); +(function(a){a.StateManager=function(d){this.STATE_NEW_BOND=new a.NewBondState(d);this.STATE_NEW_RING=new a.NewRingState(d);this.STATE_CHARGE=new a.ChargeState(d);this.STATE_LONE_PAIR=new a.LonePairState(d);this.STATE_RADICAL=new a.RadicalState(d);this.STATE_MOVE=new a.MoveState(d);this.STATE_ERASE=new a.EraseState(d);this.STATE_LABEL=new a.LabelState(d);this.STATE_LASSO=new a.LassoState(d);this.STATE_SHAPE=new a.ShapeState(d);this.STATE_PUSHER=new a.PusherState(d);this.STATE_ATOM_QUERY=new a.AtomQueryState(d); +var f=this.STATE_NEW_BOND;this.setState=function(a){a!==f&&(f.exit(),f=a,f.enter())};this.getCurrentState=function(){return f};return!0}})(ChemDoodle.sketcher.states); +ChemDoodle.sketcher.gui.imageDepot=function(){return{getURI:function(a){return"data:image/png;base64,"+a},ADD_LONE_PAIR:"iVBORw0KGgoAAAANSUhEUgAAABQAAAAUCAYAAACNiR0NAAAANElEQVR42mNgGAWjYHACGyB+DMTPgdiFDHkMAFL8H4qfkyFPewNtoApB2IMM+VEwCgYcAADjvBhZpYZJbQAAAABJRU5ErkJggg==",ADD_RADICAL:"iVBORw0KGgoAAAANSUhEUgAAABQAAAAUCAYAAACNiR0NAAAAL0lEQVR42mNgGAWjYGgAGyB+DMTPgdiFGgaCDPsPxc8HpYE2UINA2GM0BYyCoQAAdQgMLdlWmzIAAAAASUVORK5CYII=",ANY_ELEMENT:"iVBORw0KGgoAAAANSUhEUgAAABQAAAAUCAYAAACNiR0NAAABF0lEQVR42u3TsUtCURSA8ZePCJcgqCFwEomGNoWgpCFwaHHIv6CpJYqoxSWScAhqMopQKIjIpsYWoUkahCxahKaGqAjB9qK+C/fB4fBI6L3xHfiBHrgfvqs6TjQ+M4QEmvZ14FnDBYp4wnjQYBzr2MAsYmE88g0WsBvWPQ7859AMfpASuxG7y4rdCjZRx47YT6Alg4d4xZYKfuNO3J0XnEQPo3Z/hZx3cBDPWERHBR9wi2UVNHOKPczhWn66PM7h4g1pEWwjg3f7XgaT+MQ9pmTwEgX7EznCvgqaqaKigmZOcCZjw+jag8YjXuydyeAYPnCsgiWUZXAJB+obN/+IeRU0s4qvfsEGplVwGzWfoGuf4M9gNMHmF6UIOpc0VqXrAAAAAElFTkSuQmCC", +ARROW_DOWN:"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", +ARROW_RETROSYNTHETIC:"iVBORw0KGgoAAAANSUhEUgAAABQAAAAUCAYAAACNiR0NAAAAYElEQVR42mNgGI5AhZqGKQDxbSA2oaahBrQ01ILahr4HYhtskv8pwF9xGUouAHn7MRA7UNNQG6hrPahtoA+1vPwc3XWURooPtZLNc2qFG8iw+9Q2zIFahQPV05zG0C59AY3IMME0CTYYAAAAAElFTkSuQmCC",ARROW_SYNTHETIC:"iVBORw0KGgoAAAANSUhEUgAAABQAAAAUCAYAAACNiR0NAAAAUklEQVR42mNgGAWjgC5ABoh5qGmgAhD/B+I7QJwAxALUMPQg1NAHQPwdiPegG/6fipgssA+q+REQ/wDivUCcAsQi5EYKLAzJNgQ9UmRGE/tIBgDIaCG7b3KulAAAAABJRU5ErkJggg==",BENZENE:"iVBORw0KGgoAAAANSUhEUgAAABQAAAAUCAYAAACNiR0NAAAA5klEQVR42s2VPwrCMBSH06k0o1MX6R2c7A08hDfRRdDVgp5BR71GvUKdtHNvIMRf4FcoIdgkzeCDD0r+fLyQl1ch3GMmIkUOzuADDkBOEVWgA0ewABfQgjVIQkU5x/vMlqAGD1CGiFKwBS+QcSxhli2znpsyvVAZIh0r8AQ3UFiS0FnvuDczJ9XgW2++g4bSsVC/BiWPt+FxXSRqbEHmmZVyTvtvhTKmUMvesS+lYO0Fl01f2JWlsJvQws75UjpDnPL4Xk/PRdzLSjaGmo3Cq30Nxbp9XXlhXu3LJj6xwe6nNNigX8AXVupH9hGtsNcAAAAASUVORK5CYII=", +BOND_DOUBLE:"iVBORw0KGgoAAAANSUhEUgAAABQAAAAUCAYAAACNiR0NAAAAQUlEQVR42mNgoA7gZqAicADi+0DMRS3DXgGxPTVcim4YzKVUMwyZP2rYqGGjhg0Dw7ihpQRVDIMBLmoahsulZAEA2GgvCVlTJIIAAAAASUVORK5CYII=",BOND_DOUBLE_AMBIGUOUS:"iVBORw0KGgoAAAANSUhEUgAAABQAAAAUCAYAAACNiR0NAAAAwElEQVR42q2UsQ2DQBAE38EnBDQAJUBGA6YM04UD3n1AYhdhMkqAHpw4owgkJNbSfuLw904aIZLV3t/tOWdTmTOsGnytRHPwATcLpxcwgYH/HZ0mVwALXY10WqWKtWADDVjBm+0nVUmxO79BadPT0UyxqzrVF4V+b1eoYg+wgyedymIH6FUhzzZ3C7GSA9jYplRxz2YOwCtxCn97VihBn+ioUfesZhYHZnNVEpDxSsQTNDKbJhe3o9PcGVR0WikiJ/j5KxJqecPNAAAAAElFTkSuQmCC", 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Oep3DxnWtkcw9HSV6jE5J9lyfX396OhoQFdm438anhutCR+CWuptSlN0vQ6xltjTeDrFRFrCvMcDlBVlZavgOhploY1gbzmHFbPzI6RH32f88UG04AUDXqt4gnh4+NLUHJKR+it/oGBF2u8V80BzPp1yGRKoKaSIAnat9giXZcplX5D5aBKJuQTFSKKdQ3k1NF35pvNC8LE5DV8d0kS6Z32RNodAVSa5psMWV56EkcuSdWFZrShUeHQ2pnIEqSNxUfIPid7KxBV+aWYepIG/KeBnkYqabIL4QSohGzI2fAhrxf/Bf2+NQqd2ZPzAAAAAElFTkSuQmCC", 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+(function(a,d,f){a.Button=function(a,e,b,d){this.id=a;this.icon=e;this.toggle=!1;this.tooltip=b?b:"";this.func=d?d:void 0;return!0};a.Button.prototype.getElement=function(){return f("#"+this.id)};a.Button.prototype.getSource=function(a){var e=[];this.toggle?(e.push('<input type="radio" name="'),e.push(a),e.push('" id="'),e.push(this.id),e.push('" title="'),e.push(this.tooltip),e.push('" /><label for="'),e.push(this.id),e.push('"><img id="'),e.push(this.id),e.push('_icon" title="'),e.push(this.tooltip), +e.push('" width="20" height="20" src="'),e.push(d.getURI(this.icon)),e.push('"></label>')):(e.push('<button id="'),e.push(this.id),e.push('" onclick="return false;" title="'),e.push(this.tooltip),e.push('"><img title="'),e.push(this.tooltip),e.push('" width="20" height="20" src="'),e.push(d.getURI(this.icon)),e.push('"></button>'));return e.join("")};a.Button.prototype.setup=function(a){var e=this.getElement();(!this.toggle||a)&&e.button();e.click(this.func)};a.Button.prototype.disable=function(){var a= +this.getElement();a.mouseout();a.button("disable")};a.Button.prototype.enable=function(){this.getElement().button("enable")};a.Button.prototype.select=function(){var a=this.getElement();a.attr("checked",!0);a.button("refresh")}})(ChemDoodle.sketcher.gui.desktop,ChemDoodle.sketcher.gui.imageDepot,jQuery); +(function(a,d){a.ButtonSet=function(a){this.id=a;this.buttons=[];return this.toggle=!0};a.ButtonSet.prototype.getElement=function(){return d("#"+this.id)};a.ButtonSet.prototype.getSource=function(a){var c=[];c.push('<span id="');c.push(this.id);c.push('">');for(var e=0,b=this.buttons.length;e<b;e++)this.toggle&&(this.buttons[e].toggle=!0),c.push(this.buttons[e].getSource(a));this.dropDown&&c.push(this.dropDown.getButtonSource());c.push("</span>");this.dropDown&&c.push(this.dropDown.getHiddenSource()); +return c.join("")};a.ButtonSet.prototype.setup=function(){this.getElement().buttonset();for(var a=0,c=this.buttons.length;a<c;a++)this.buttons[a].setup(!1);this.dropDown&&this.dropDown.setup()};a.ButtonSet.prototype.addDropDown=function(d){this.dropDown=new a.DropDown(this.id+"_dd",d,this.buttons[this.buttons.length-1])}})(ChemDoodle.sketcher.gui.desktop,jQuery); +(function(a,d,f){a.Dialog=function(a,e,b){this.sketcherid=a;this.id=a+e;this.title=b?b:"Information";this.afterMessage=this.message=this.buttons=void 0;this.includeTextField=this.includeTextArea=!1;return!0};a.Dialog.prototype.getElement=function(){return d("#"+this.id)};a.Dialog.prototype.getTextArea=function(){return d("#"+this.id+"_ta")};a.Dialog.prototype.getTextField=function(){return d("#"+this.id+"_tf")};a.Dialog.prototype.setup=function(){var a=[];a.push('<div style="font-size:12px;" id="'); +a.push(this.id);a.push('" title="');a.push(this.title);a.push('">');this.message&&(a.push("<p>"),a.push(this.message),a.push("</p>"));this.includeTextField&&(a.push('<input type="text" style="font-family:\'Courier New\';" id="'),a.push(this.id),a.push('_tf"></input>'));this.includeTextArea&&(a.push('<textarea style="font-family:\'Courier New\';" id="'),a.push(this.id),a.push('_ta" cols="55" rows="10"></textarea>'));this.afterMessage&&(a.push("<p>"),a.push(this.afterMessage),a.push("</p>"));a.push("</div>"); +f.getElementById(this.sketcherid)?d("#"+this.sketcherid).before(a.join("")):f.writeln(a.join(""));this.getElement().dialog({autoOpen:!1,width:435,buttons:this.buttons})}})(ChemDoodle.sketcher.gui.desktop,jQuery,document); +(function(a,d,f,c){d.MolGrabberDialog=function(a,b){this.sketcherid=a;this.id=a+b;this.title="MolGrabber";return!0};d.MolGrabberDialog.prototype=new d.Dialog;d.MolGrabberDialog.prototype.setup=function(){var a=[];a.push('<div style="font-size:12px;text-align:center;" id="');a.push(this.id);a.push('" title="');a.push(this.title);a.push('">');this.message&&(a.push("<p>"),a.push(this.message),a.push("</p>"));a.push('<canvas class="ChemDoodleWebComponent" id="');a.push(this.id);a.push('_mg"></canvas>'); +this.afterMessage&&(a.push("<p>"),a.push(this.afterMessage),a.push("</p>"));a.push("</div>");c.getElementById(this.sketcherid)?f("#"+this.sketcherid).before(a.join("")):c.writeln(a.join(""));this.canvas=new ChemDoodle.MolGrabberCanvas(this.id+"_mg",200,200);this.getElement().dialog({autoOpen:!1,width:250,buttons:this.buttons})}})(ChemDoodle,ChemDoodle.sketcher.gui.desktop,jQuery,document); +(function(a,d,f,c){d.PeriodicTableDialog=function(a,b){this.sketcherid=a;this.id=a+b;this.title="Periodic Table";return!0};d.PeriodicTableDialog.prototype=new d.Dialog;d.PeriodicTableDialog.prototype.setup=function(){var a=[];a.push('<div style="text-align:center;" id="');a.push(this.id);a.push('" title="');a.push(this.title);a.push('">');a.push('<canvas class="ChemDoodleWebComponents" id="');a.push(this.id);a.push('_pt"></canvas></div>');c.getElementById(this.sketcherid)?f("#"+this.sketcherid).before(a.join("")): +c.writeln(a.join(""));this.canvas=new ChemDoodle.PeriodicTableCanvas(this.id+"_pt",20);this.getElement().dialog({autoOpen:!1,width:400,buttons:this.buttons})}})(ChemDoodle,ChemDoodle.sketcher.gui.desktop,jQuery,document); +(function(a,d,f,c){d.SaveFileDialog=function(a,b){this.id=a;this.sketcher=b;this.title="Save File";return!0};d.SaveFileDialog.prototype=new d.Dialog;d.SaveFileDialog.prototype.clear=function(){f("#"+this.id+"_link").html("The file link will appear here.")};d.SaveFileDialog.prototype.setup=function(){var a=[];a.push('<div style="font-size:12px;" id="');a.push(this.id);a.push('" title="');a.push(this.title);a.push('">');a.push("<p>Select the file format to save your structure to and click on the <strong>Generate File</strong> button.</p>"); +a.push('<select id="');a.push(this.id);a.push('_select">');a.push('<option value="sk2">ACD/ChemSketch Document {sk2}');a.push('<option value="ros">Beilstein ROSDAL {ros}');a.push('<option value="cdx">Cambridgesoft ChemDraw Exchange {cdx}');a.push('<option value="cdxml">Cambridgesoft ChemDraw XML {cdxml}');a.push('<option value="mrv">ChemAxon Marvin Document {mrv}');a.push('<option value="cml">Chemical Markup Language {cml}');a.push('<option value="smiles">Daylight SMILES {smiles}');a.push('<option value="icl" selected>iChemLabs ChemDoodle Document {icl}'); +a.push('<option value="inchi">IUPAC InChI {inchi}');a.push('<option value="jdx">IUPAC JCAMP-DX {jdx}');a.push('<option value="skc">MDL ISIS Sketch {skc}');a.push('<option value="tgf">MDL ISIS Sketch Transportable Graphics File {tgf}');a.push('<option value="mol">MDL MOLFile {mol}');a.push('<option value="sdf">MDL SDFile {sdf}');a.push('<option value="jme">Molinspiration JME String {jme}');a.push('<option value="pdb">RCSB Protein Data Bank {pdb}');a.push('<option value="mmd">Schrödinger Macromodel {mmd}'); +a.push('<option value="mae">Schrödinger Maestro {mae}');a.push('<option value="smd">Standard Molecular Data {smd}');a.push('<option value="mol2">Tripos Mol2 {mol2}');a.push('<option value="sln">Tripos SYBYL SLN {sln}');a.push('<option value="xyz">XYZ {xyz}');a.push("</select>");a.push('<button id="');a.push(this.id);a.push('_button">');a.push("Generate File</button>");a.push("<p>When the file is written, a link will appear in the red-bordered box below, right-click on the link and choose the browser's <strong>Save As...</strong> function to save the file to your computer.</p>"); +a.push('<div style="width:100%;height:30px;border:1px solid #c10000;text-align:center;" id="');a.push(this.id);a.push('_link">The file link will appear here.</div>');a.push('<p><a href="http://www.chemdoodle.com" target="_blank">How do I use these files?</a></p>');a.push("</div>");c.getElementById(this.sketcher.id)?f("#"+this.sketcher.id).before(a.join("")):c.writeln(a.join(""));var b=this;f("#"+this.id+"_button").click(function(){f("#"+b.id+"_link").html("Generating file, please wait...");ChemDoodle.iChemLabs.saveFile(b.sketcher.oneMolecule? +b.sketcher.molecules[0]:b.sketcher.lasso.getFirstMolecule(),{ext:f("#"+b.id+"_select").val()},function(a){f("#"+b.id+"_link").html('<a href="'+a+'"><span style="text-decoration:underline;">File is generated. Right-click on this link and Save As...</span></a>')})});this.getElement().dialog({autoOpen:!1,width:435,buttons:b.buttons})}})(ChemDoodle,ChemDoodle.sketcher.gui.desktop,jQuery,document); +(function(a,d,f,c,e){f.DialogManager=function(b){b.useServices?this.saveDialog=new c.SaveFileDialog(b.id+"_save_dialog",b):(this.saveDialog=new c.Dialog(b.id,"_save_dialog","Save Molecule"),this.saveDialog.message="Copy and paste the content of the textarea into a file and save it with the extension <strong>.mol</strong>.",this.saveDialog.includeTextArea=!0,this.saveDialog.afterMessage='<a href="http://www.chemdoodle.com" target="_blank">How do I use MOLFiles?</a>');this.saveDialog.setup();this.loadDialog= +new c.Dialog(b.id,"_load_dialog","Load Molecule");this.loadDialog.message="Copy and paste the contents of a MOLFile (extension <strong>.mol</strong>) in the textarea below and then press the <strong>Load</strong> button.";this.loadDialog.includeTextArea=!0;this.loadDialog.afterMessage='<a href="http://www.chemdoodle.com" target="_blank">Where do I get MOLFiles?</a>';var f=this;this.loadDialog.buttons={Load:function(){e(this).dialog("close");var c=a.readMOL(f.loadDialog.getTextArea().val());if(c.atoms.length> +0)if(b.oneMolecule)b.historyManager.pushUndo(new d.SwitchMoleculeAction(b,c));else{b.historyManager.pushUndo(new d.NewMoleculeAction(b,c.atoms,c.bonds));b.toolbarManager.buttonLasso.getElement().click();b.lasso.select(c.atoms,[])}else alert("No chemical content was recognized.")}};this.loadDialog.setup();this.searchDialog=new c.MolGrabberDialog(b.id,"_search_dialog");this.searchDialog.buttons={Load:function(){e(this).dialog("close");var a=f.searchDialog.canvas.molecules[0];if(a&&a.atoms.length>0)if(b.oneMolecule)a!== +b.molecule&&b.historyManager.pushUndo(new d.SwitchMoleculeAction(b,a));else{b.historyManager.pushUndo(new d.NewMoleculeAction(b,a.atoms,a.bonds));b.toolbarManager.buttonLasso.getElement().click();b.lasso.select(a.atoms,[])}}};this.searchDialog.setup();this.periodicTableDialog=new c.PeriodicTableDialog(b.id,"_periodicTable_dialog");this.periodicTableDialog.buttons={Close:function(){e(this).dialog("close")}};this.periodicTableDialog.setup();this.periodicTableDialog.canvas.click=function(){if(this.hovered){this.selected= +this.hovered;var a=this.getHoveredElement();b.stateManager.setState(b.stateManager.STATE_LABEL);b.stateManager.STATE_LABEL.label=a.symbol;b.toolbarManager.buttonLabel.select();this.repaint()}};this.calculateDialog=new c.Dialog(b.id,"_calculate_dialog","Calculations");this.calculateDialog.includeTextArea=!0;this.calculateDialog.afterMessage='<a href="http://www.chemdoodle.com" target="_blank">Want more calculations?</a>';this.calculateDialog.setup();this.inputDialog=new c.Dialog(b.id,"_input_dialog", +"Input");this.inputDialog.message='Please input the rgroup number (must be a positive integer). Input "-1" to remove the rgroup.';this.inputDialog.includeTextField=!0;this.inputDialog.buttons={Done:function(){e(this).dialog("close");f.inputDialog.doneFunction&&f.inputDialog.doneFunction(f.inputDialog.getTextField().val())}};this.inputDialog.setup();return!0}})(ChemDoodle,ChemDoodle.sketcher.actions,ChemDoodle.sketcher.gui,ChemDoodle.sketcher.gui.desktop,jQuery); +(function(a,d,f,c){a.DropDown=function(c,b,d){this.id=c;this.tooltip=b;this.dummy=d;this.buttonSet=new a.ButtonSet(c+"_set");this.buttonSet.buttonGroup=b;this.defaultButton=void 0;return!0};a.DropDown.prototype.getButtonSource=function(){var a=[];a.push('<button id="');a.push(this.id);a.push('" onclick="return false;" title="');a.push(this.tooltip);a.push('"><img title="');a.push(this.tooltip);a.push('" src="');a.push(d.getURI(d.ARROW_DOWN));a.push('"></button>');return a.join("")};a.DropDown.prototype.getHiddenSource= +function(){var a=[];a.push('<div style="display:none;position:absolute;z-index:10;border:1px #C1C1C1 solid;background:#F5F5F5;padding:5px;border-bottom-left-radius:5px;-moz-border-radius-bottomleft:5px;border-bottom-right-radius:5px;-moz-border-radius-bottomright:5px;" id="');a.push(this.id);a.push('_hidden">');a.push(this.buttonSet.getSource(this.id+"_popup_set"));a.push("</div>");return a.join("")};a.DropDown.prototype.setup=function(){this.defaultButton||(this.defaultButton=this.buttonSet.buttons[0]); +var a="#"+this.id;f(a).button();f(a+"_hidden").hide();f(a).click(function(){var b=f(a+"_hidden");b.show().position({my:"center top",at:"center bottom",of:this,collision:"fit"});f(c).one("click",function(){b.hide()});return false});this.buttonSet.setup();var b=this;f.each(this.buttonSet.buttons,function(a){b.buttonSet.buttons[a].getElement().click(function(){b.dummy.absorb(b.buttonSet.buttons[a]);b.dummy.select();b.dummy.func()})});b.dummy.absorb(this.defaultButton);this.defaultButton.select()}})(ChemDoodle.sketcher.gui.desktop, +ChemDoodle.sketcher.gui.imageDepot,jQuery,document); +(function(a,d,f){a.DummyButton=function(a,d,b){this.id=a;this.icon=d;this.toggle=!1;this.tooltip=b?b:"";this.func=void 0;return!0};a.DummyButton.prototype=new a.Button;a.DummyButton.prototype.setup=function(){var a=this;this.getElement().click(function(){a.func()})};a.DummyButton.prototype.absorb=function(a){f("#"+this.id+"_icon").attr("src",d.getURI(a.icon));this.func=a.func}})(ChemDoodle.sketcher.gui.desktop,ChemDoodle.sketcher.gui.imageDepot,jQuery); +(function(a,d,f,c,e,b,h,j,m,g,l,n){b.ToolbarManager=function(i){this.sketcher=i;this.buttonOpen=new j.Button(i.id+"_button_open",h.OPEN,"Open",function(){i.dialogManager.loadDialog.getTextArea().val("");i.dialogManager.loadDialog.getElement().dialog("open")});this.buttonSave=new j.Button(i.id+"_button_save",h.SAVE,"Save",function(){i.useServices?i.dialogManager.saveDialog.clear():i.oneMolecule?i.dialogManager.saveDialog.getTextArea().val(a.writeMOL(i.molecules[0])):i.lasso.isActive()&&i.dialogManager.saveDialog.getTextArea().val(a.writeMOL(i.lasso.getFirstMolecule())); +i.dialogManager.saveDialog.getElement().dialog("open")});this.buttonSearch=new j.Button(i.id+"_button_search",h.SEARCH,"Search",function(){i.dialogManager.searchDialog.getElement().dialog("open")});this.buttonCalculate=new j.Button(i.id+"_button_calculate",h.CALCULATE,"Calculate",function(){var a=i.oneMolecule?i.molecules[0]:i.lasso.getFirstMolecule();a&&d.calculate(a,{descriptors:"mf,mw,miw,deg_unsat,hba,hbd,pol_miller,cmr,tpsa,xlogp2".split(",")},function(a){function b(a,i,c){g.push(a);g.push(": "); +for(a=a.length+2;30>a;a++)g.push(" ");g.push(i);g.push(" ");g.push(c);g.push("\n")}var g=[];b("Molecular Formula",a.mf,"");b("Molecular Mass",a.mw,"amu");b("Monoisotopic Mass",a.miw,"amu");b("Degree of Unsaturation",a.deg_unsat,"");b("Hydrogen Bond Acceptors",a.hba,"");b("Hydrogen Bond Donors",a.hbd,"");b("Molecular Polarizability",a.pol_miller,"\u00c5\u00b3");b("Molar Refractivity",a.cmr,"cm\u00b3/mol");b("Polar Surface Area",a.tpsa,"\u00c5\u00b2");b("logP",a.xlogp2,"");i.dialogManager.calculateDialog.getTextArea().val(g.join("")); +i.dialogManager.calculateDialog.getElement().dialog("open")})});this.buttonMove=new j.Button(i.id+"_button_move",h.MOVE,"Move",function(){i.stateManager.setState(i.stateManager.STATE_MOVE)});this.buttonMove.toggle=!0;this.buttonErase=new j.Button(i.id+"_button_erase",h.ERASE,"Erase",function(){i.stateManager.setState(i.stateManager.STATE_ERASE)});this.buttonErase.toggle=!0;this.buttonClear=new j.Button(i.id+"_button_clear",h.CLEAR,"Clear",function(){var a=!0;if(i.oneMolecule){if(1===i.molecules[0].atoms.length){var b= +i.molecules[0].atoms[0];"C"===b.label&&0===b.charge&&-1===b.mass&&(a=!1)}}else 0===i.molecules.length&&0===i.shapes.length&&(a=!1);a&&(i.stateManager.getCurrentState().clearHover(),i.lasso&&i.lasso.isActive()&&i.lasso.empty(),i.historyManager.pushUndo(new e.ClearAction(i)))});this.buttonClean=new j.Button(i.id+"_button_clean",h.OPTIMIZE,"Clean",function(){var a=i.oneMolecule?i.molecules[0]:i.lasso.getFirstMolecule();if(a){var b=new f.JSONInterpreter;d._contactServer("optimize",{mol:b.molTo(a)},{dimension:2}, +function(g){var g=b.molFrom(g.mol),d=g.getCenter(),f=new c.Point(i.width/2,i.height/2);f.sub(d);for(var d=0,h=g.atoms.length;d<h;d++)g.atoms[d].add(f);i.historyManager.pushUndo(new e.ChangeCoordinatesAction(a.atoms,g.atoms))})}});this.makeLassoSet(this);this.makeScaleSet(this);this.makeHistorySet(this);this.makeLabelSet(this);this.makeBondSet(this);this.makeRingSet(this);this.makeAttributeSet(this);this.makeShapeSet(this);return!0};b.ToolbarManager.prototype.write=function(){var a=[],b=this.sketcher.id+ +"_main_group";this.sketcher.oneMolecule?a.push(this.buttonMove.getSource(b)):a.push(this.lassoSet.getSource(b));a.push(this.buttonClear.getSource());a.push(this.buttonErase.getSource(b));this.sketcher.useServices&&a.push(this.buttonClean.getSource());a.push(this.historySet.getSource());a.push(this.scaleSet.getSource());a.push(this.buttonOpen.getSource());a.push(this.buttonSave.getSource());this.sketcher.useServices&&(a.push(this.buttonSearch.getSource()),a.push(this.buttonCalculate.getSource())); +a.push("<br>");a.push(this.labelSet.getSource(b));a.push(this.attributeSet.getSource(b));a.push(this.bondSet.getSource(b));a.push(this.ringSet.getSource(b));this.sketcher.oneMolecule||a.push(this.shapeSet.getSource(b));a.push("<br>");n.getElementById(this.sketcher.id)?l("#"+this.sketcher.id).before(a.join("")):n.write(a.join(""))};b.ToolbarManager.prototype.setup=function(){this.sketcher.oneMolecule?this.buttonMove.setup(!0):this.lassoSet.setup();this.buttonClear.setup();this.buttonErase.setup(!0); +this.sketcher.useServices&&this.buttonClean.setup();this.historySet.setup();this.scaleSet.setup();this.buttonOpen.setup();this.buttonSave.setup();this.sketcher.useServices&&(this.buttonSearch.setup(),this.buttonCalculate.setup());this.labelSet.setup();this.attributeSet.setup();this.bondSet.setup();this.ringSet.setup();this.sketcher.oneMolecule||this.shapeSet.setup();this.buttonSingle.select();this.buttonUndo.disable();this.buttonRedo.disable();!this.sketcher.oneMolecule&&this.sketcher.useServices&& +(this.buttonClean.disable(),this.buttonCalculate.disable(),this.buttonSave.disable())};b.ToolbarManager.prototype.makeScaleSet=function(a){this.scaleSet=new j.ButtonSet(a.sketcher.id+"_buttons_scale");this.scaleSet.toggle=!1;this.buttonScalePlus=new j.Button(a.sketcher.id+"_button_scale_plus",h.ZOOM_IN,"Increase Scale",function(){a.sketcher.specs.scale*=1.5;a.sketcher.checkScale();a.sketcher.repaint()});this.scaleSet.buttons.push(this.buttonScalePlus);this.buttonScaleMinus=new j.Button(a.sketcher.id+ +"_button_scale_minus",h.ZOOM_OUT,"Decrease Scale",function(){a.sketcher.specs.scale/=1.5;a.sketcher.checkScale();a.sketcher.repaint()});this.scaleSet.buttons.push(this.buttonScaleMinus)};b.ToolbarManager.prototype.makeLassoSet=function(a){this.lassoSet=new j.ButtonSet(a.sketcher.id+"_buttons_lasso");this.buttonLasso=new j.DummyButton(a.sketcher.id+"_button_lasso",h.LASSO,"Selection Tool");this.lassoSet.buttons.push(this.buttonLasso);this.lassoSet.addDropDown("More Selection Tools");this.lassoSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+ +"_button_lasso_lasso",h.LASSO,"Lasso Tool",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_LASSO);a.sketcher.lasso.mode=m.Lasso.MODE_LASSO;0<a.sketcher.molecules.length&&!a.sketcher.lasso.isActive()&&a.sketcher.lasso.select(a.sketcher.molecules[a.sketcher.molecules.length-1].atoms,[])}));this.lassoSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_lasso_shapes",h.LASSO_SHAPES,"Lasso Tool (shapes only)",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_LASSO); +a.sketcher.lasso.mode=m.Lasso.MODE_LASSO_SHAPES;0<a.sketcher.shapes.length&&!a.sketcher.lasso.isActive()&&a.sketcher.lasso.select([],[a.sketcher.shapes[a.sketcher.shapes.length-1]])}));this.lassoSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_lasso_marquee",h.MARQUEE,"Marquee Tool",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_LASSO);a.sketcher.lasso.mode=m.Lasso.MODE_RECTANGLE_MARQUEE;0<a.sketcher.molecules.length&&!a.sketcher.lasso.isActive()&& +a.sketcher.lasso.select(a.sketcher.molecules[a.sketcher.molecules.length-1].atoms,[])}))};b.ToolbarManager.prototype.makeHistorySet=function(a){this.historySet=new j.ButtonSet(a.sketcher.id+"_buttons_history");this.historySet.toggle=!1;this.buttonUndo=new j.Button(a.sketcher.id+"_button_undo",h.UNDO,"Undo",function(){a.sketcher.historyManager.undo()});this.historySet.buttons.push(this.buttonUndo);this.buttonRedo=new j.Button(a.sketcher.id+"_button_redo",h.REDO,"Redo",function(){a.sketcher.historyManager.redo()}); +this.historySet.buttons.push(this.buttonRedo)};b.ToolbarManager.prototype.makeLabelSet=function(a){this.labelSet=new j.ButtonSet(a.sketcher.id+"_buttons_label");this.buttonLabel=new j.DummyButton(a.sketcher.id+"_button_label",h.CARBON,"Set Label");this.labelSet.buttons.push(this.buttonLabel);this.labelSet.addDropDown("More Labels");this.labelSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_label_h",h.HYDROGEN,"Hydrogen",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_LABEL); +a.sketcher.stateManager.STATE_LABEL.label="H"}));this.labelSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_label_c",h.CARBON,"Carbon",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_LABEL);a.sketcher.stateManager.STATE_LABEL.label="C"}));this.labelSet.dropDown.defaultButton=this.labelSet.dropDown.buttonSet.buttons[this.labelSet.dropDown.buttonSet.buttons.length-1];this.labelSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_label_n", +h.NITROGEN,"Nitrogen",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_LABEL);a.sketcher.stateManager.STATE_LABEL.label="N"}));this.labelSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_label_o",h.OXYGEN,"Oxygen",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_LABEL);a.sketcher.stateManager.STATE_LABEL.label="O"}));this.labelSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_label_f",h.FLUORINE,"Fluorine", +function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_LABEL);a.sketcher.stateManager.STATE_LABEL.label="F"}));this.labelSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_label_cl",h.CHLORINE,"Chlorine",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_LABEL);a.sketcher.stateManager.STATE_LABEL.label="Cl"}));this.labelSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_label_br",h.BROMINE,"Bromine",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_LABEL); +a.sketcher.stateManager.STATE_LABEL.label="Br"}));this.labelSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_label_i",h.IODINE,"Iodine",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_LABEL);a.sketcher.stateManager.STATE_LABEL.label="I"}));this.labelSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_label_p",h.PHOSPHORUS,"Phosphorus",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_LABEL);a.sketcher.stateManager.STATE_LABEL.label= +"P"}));this.labelSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_label_s",h.SULFUR,"Sulfur",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_LABEL);a.sketcher.stateManager.STATE_LABEL.label="S"}));this.labelSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_label_pt",h.PERIODIC_TABLE,"Choose Symbol",function(){for(var b=0,g=a.sketcher.dialogManager.periodicTableDialog.canvas.cells.length;b<g;b++){var c=a.sketcher.dialogManager.periodicTableDialog.canvas.cells[b]; +if(c.element.symbol===a.sketcher.stateManager.STATE_LABEL.label){a.sketcher.dialogManager.periodicTableDialog.canvas.selected=c;a.sketcher.dialogManager.periodicTableDialog.canvas.repaint();break}}a.sketcher.dialogManager.periodicTableDialog.getElement().dialog("open")}))};b.ToolbarManager.prototype.makeBondSet=function(a){this.bondSet=new j.ButtonSet(a.sketcher.id+"_buttons_bond");this.buttonSingle=new j.Button(a.sketcher.id+"_button_bond_single",h.BOND_SINGLE,"Single Bond",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_NEW_BOND); +a.sketcher.stateManager.STATE_NEW_BOND.bondOrder=1;a.sketcher.stateManager.STATE_NEW_BOND.stereo=c.Bond.STEREO_NONE});this.bondSet.buttons.push(this.buttonSingle);this.buttonRecessed=new j.Button(a.sketcher.id+"_button_bond_recessed",h.BOND_RECESSED,"Recessed Bond",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_NEW_BOND);a.sketcher.stateManager.STATE_NEW_BOND.bondOrder=1;a.sketcher.stateManager.STATE_NEW_BOND.stereo=c.Bond.STEREO_RECESSED});this.bondSet.buttons.push(this.buttonRecessed); +this.buttonProtruding=new j.Button(a.sketcher.id+"_button_bond_protruding",h.BOND_PROTRUDING,"Protruding Bond",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_NEW_BOND);a.sketcher.stateManager.STATE_NEW_BOND.bondOrder=1;a.sketcher.stateManager.STATE_NEW_BOND.stereo=c.Bond.STEREO_PROTRUDING});this.bondSet.buttons.push(this.buttonProtruding);this.buttonDouble=new j.Button(a.sketcher.id+"_button_bond_double",h.BOND_DOUBLE,"Double Bond",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_NEW_BOND); +a.sketcher.stateManager.STATE_NEW_BOND.bondOrder=2;a.sketcher.stateManager.STATE_NEW_BOND.stereo=c.Bond.STEREO_NONE});this.bondSet.buttons.push(this.buttonDouble);this.buttonBond=new j.DummyButton(a.sketcher.id+"_button_bond",h.BOND_TRIPLE,"Other Bond");this.bondSet.buttons.push(this.buttonBond);this.bondSet.addDropDown("More Bonds");this.bondSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_bond_triple",h.BOND_TRIPLE,"Triple Bond",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_NEW_BOND); +a.sketcher.stateManager.STATE_NEW_BOND.bondOrder=3;a.sketcher.stateManager.STATE_NEW_BOND.stereo=c.Bond.STEREO_NONE}));this.bondSet.dropDown.defaultButton=this.bondSet.dropDown.buttonSet.buttons[this.bondSet.dropDown.buttonSet.buttons.length-1];this.bondSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_bond_ambiguous_double",h.BOND_DOUBLE_AMBIGUOUS,"Ambiguous Double Bond",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_NEW_BOND);a.sketcher.stateManager.STATE_NEW_BOND.bondOrder= +2;a.sketcher.stateManager.STATE_NEW_BOND.stereo=c.Bond.STEREO_AMBIGUOUS}))};b.ToolbarManager.prototype.makeRingSet=function(a){this.ringSet=new j.ButtonSet(a.sketcher.id+"_buttons_ring");this.buttonCyclohexane=new j.Button(a.sketcher.id+"_button_ring_cyclohexane",h.CYCLOHEXANE,"Cyclohexane Ring",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_NEW_RING);a.sketcher.stateManager.STATE_NEW_RING.numSides=6;a.sketcher.stateManager.STATE_NEW_RING.unsaturated=!1});this.ringSet.buttons.push(this.buttonCyclohexane); +this.buttonBenzene=new j.Button(a.sketcher.id+"_button_ring_benzene",h.BENZENE,"Benzene Ring",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_NEW_RING);a.sketcher.stateManager.STATE_NEW_RING.numSides=6;a.sketcher.stateManager.STATE_NEW_RING.unsaturated=!0});this.ringSet.buttons.push(this.buttonBenzene);this.buttonRing=new j.DummyButton(a.sketcher.id+"_button_ring",h.CYCLOPENTANE,"Other Ring");this.ringSet.buttons.push(this.buttonRing);this.ringSet.addDropDown("More Rings"); +this.ringSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_ring_cyclopropane",h.CYCLOPROPANE,"Cyclopropane Ring",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_NEW_RING);a.sketcher.stateManager.STATE_NEW_RING.numSides=3;a.sketcher.stateManager.STATE_NEW_RING.unsaturated=!1}));this.ringSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_ring_cyclobutane",h.CYCLOBUTANE,"Cyclobutane Ring",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_NEW_RING); +a.sketcher.stateManager.STATE_NEW_RING.numSides=4;a.sketcher.stateManager.STATE_NEW_RING.unsaturated=!1}));this.ringSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_ring_cyclopentane",h.CYCLOPENTANE,"Cyclopentane Ring",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_NEW_RING);a.sketcher.stateManager.STATE_NEW_RING.numSides=5;a.sketcher.stateManager.STATE_NEW_RING.unsaturated=!1}));this.ringSet.dropDown.defaultButton=this.ringSet.dropDown.buttonSet.buttons[this.ringSet.dropDown.buttonSet.buttons.length- +1];this.ringSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_ring_cycloheptane",h.CYCLOHEPTANE,"Cycloheptane Ring",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_NEW_RING);a.sketcher.stateManager.STATE_NEW_RING.numSides=7;a.sketcher.stateManager.STATE_NEW_RING.unsaturated=!1}));this.ringSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_ring_cyclooctane",h.CYCLOOCTANE,"Cyclooctane Ring",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_NEW_RING); +a.sketcher.stateManager.STATE_NEW_RING.numSides=8;a.sketcher.stateManager.STATE_NEW_RING.unsaturated=!1}))};b.ToolbarManager.prototype.makeAttributeSet=function(a){this.attributeSet=new j.ButtonSet(a.sketcher.id+"_buttons_attribute");this.buttonAttribute=new j.DummyButton(a.sketcher.id+"_button_attribute",h.INCREASE_CHARGE,"Attributes");this.attributeSet.buttons.push(this.buttonAttribute);this.attributeSet.addDropDown("More Attributes");this.attributeSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+ +"_button_attribute_charge_increment",h.INCREASE_CHARGE,"Increase Charge",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_CHARGE);a.sketcher.stateManager.STATE_CHARGE.delta=1}));this.attributeSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_attribute_charge_decrement",h.DECREASE_CHARGE,"Decrease Charge",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_CHARGE);a.sketcher.stateManager.STATE_CHARGE.delta=-1}));this.attributeSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+ +"_button_attribute_lonePair_increment",h.ADD_LONE_PAIR,"Add Lone Pair",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_LONE_PAIR);a.sketcher.stateManager.STATE_LONE_PAIR.delta=1}));this.attributeSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_attribute_lonePair_decrement",h.REMOVE_LONE_PAIR,"Remove Lone Pair",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_LONE_PAIR);a.sketcher.stateManager.STATE_LONE_PAIR.delta=-1}));this.attributeSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+ +"_button_attribute_radical_increment",h.ADD_RADICAL,"Add Radical",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_RADICAL);a.sketcher.stateManager.STATE_RADICAL.delta=1}));this.attributeSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_attribute_radical_decrement",h.REMOVE_RADICAL,"Remove Radical",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_RADICAL);a.sketcher.stateManager.STATE_RADICAL.delta=-1}));this.attributeSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+ +"_button_label_any",h.ANY_ELEMENT,"Any Element",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_ATOM_QUERY);a.sketcher.stateManager.STATE_ATOM_QUERY.mode=g.AtomQueryState.MODE_ANY}));this.attributeSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_label_rgroup",h.RGROUP,"Rgroup",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_ATOM_QUERY);a.sketcher.stateManager.STATE_ATOM_QUERY.mode=g.AtomQueryState.MODE_RGROUP}))};b.ToolbarManager.prototype.makeShapeSet= +function(a){this.shapeSet=new j.ButtonSet(a.sketcher.id+"_buttons_shape");this.buttonShape=new j.DummyButton(a.sketcher.id+"_button_shape",h.ARROW_SYNTHETIC,"Add Shape");this.shapeSet.buttons.push(this.buttonShape);this.shapeSet.addDropDown("More Shapes");this.shapeSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_lasso_arrow_synthetic",h.ARROW_SYNTHETIC,"Synthetic Arrow",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_SHAPE);a.sketcher.stateManager.STATE_SHAPE.shapeType= +g.ShapeState.ARROW_SYNTHETIC}));this.shapeSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_lasso_arrow_retrosynthetic",h.ARROW_RETROSYNTHETIC,"Retrosynthetic Arrow",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_SHAPE);a.sketcher.stateManager.STATE_SHAPE.shapeType=g.ShapeState.ARROW_RETROSYNTHETIC}));this.shapeSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_lasso_pusher_1",h.PUSHER_SINGLE,"Single Electron Pusher",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_PUSHER); +a.sketcher.stateManager.STATE_PUSHER.numElectron=1}));this.shapeSet.dropDown.buttonSet.buttons.push(new j.Button(a.sketcher.id+"_button_lasso_pusher_2",h.PUSHER_DOUBLE,"Electron Pair Pusher",function(){a.sketcher.stateManager.setState(a.sketcher.stateManager.STATE_PUSHER);a.sketcher.stateManager.STATE_PUSHER.numElectron=2}))}})(ChemDoodle,ChemDoodle.iChemLabs,ChemDoodle.io,ChemDoodle.structures,ChemDoodle.sketcher.actions,ChemDoodle.sketcher.gui,ChemDoodle.sketcher.gui.imageDepot,ChemDoodle.sketcher.gui.desktop, +ChemDoodle.sketcher.tools,ChemDoodle.sketcher.states,jQuery,document); +(function(a,d,f,c){f.Lasso=function(e){this.sketcher=e;this.atoms=[];this.shapes=[];this.bounds=void 0;this.mode=f.Lasso.MODE_LASSO;this.points=[];this.select=function(b,e){if(!this.block){d.SHIFT||this.empty();if(b)this.atoms=b.slice(0),this.shapes=e.slice(0);else{if(this.mode!==f.Lasso.MODE_LASSO_SHAPES){for(var j=[],m=0,g=this.sketcher.molecules.length;m<g;m++)for(var l=this.sketcher.molecules[m],n=0,i=l.atoms.length;n<i;n++){var o=l.atoms[n];this.mode===f.Lasso.MODE_RECTANGLE_MARQUEE?2===this.points.length&& +a.isBetween(o.x,this.points[0].x,this.points[1].x)&&a.isBetween(o.y,this.points[0].y,this.points[1].y)&&j.push(o):1<this.points.length&&a.isPointInPoly(this.points,o)&&j.push(o)}if(0===this.atoms.length)this.atoms=j;else{for(var k=[],m=0,g=this.atoms.length;m<g;m++)o=this.atoms[m],-1===c(o,j)?k.push(o):o.isLassoed=!1;m=0;for(g=j.length;m<g;m++)-1===c(j[m],this.atoms)&&k.push(j[m]);this.atoms=k}}j=[];m=0;for(g=this.sketcher.shapes.length;m<g;m++){for(var l=this.sketcher.shapes[m],o=l.getPoints(),p= +0<o.length,n=0,i=o.length;n<i;n++){var q=o[n];if(this.mode===f.Lasso.MODE_RECTANGLE_MARQUEE)if(2===this.points.length){if(!a.isBetween(q.x,this.points[0].x,this.points[1].x)||!a.isBetween(q.y,this.points[0].y,this.points[1].y)){p=!1;break}}else{p=!1;break}else if(1<this.points.length){if(!a.isPointInPoly(this.points,q)){p=!1;break}}else{p=!1;break}}p&&j.push(l)}if(0===this.shapes.length)this.shapes=j;else{n=[];m=0;for(g=this.shapes.length;m<g;m++)l=this.shapes[m],-1===c(l,j)?k.push(l):l.isLassoed= +!1;m=0;for(g=j.length;m<g;m++)-1===c(j[m],this.shapes)&&n.push(j[m]);this.shapes=n}}m=0;for(g=this.atoms.length;m<g;m++)this.atoms[m].isLassoed=!0;m=0;for(g=this.shapes.length;m<g;m++)this.shapes[m].isLassoed=!0;this.setBounds();this.bounds&&Infinity===this.bounds.minX&&this.empty();this.points=[];this.sketcher.stateManager.getCurrentState().clearHover();this.enableButtons();this.sketcher.repaint()}};this.enableButtons=function(){this.sketcher.useServices&&(0<this.atoms.length?(this.sketcher.toolbarManager.buttonClean.enable(), +this.sketcher.toolbarManager.buttonCalculate.enable(),this.sketcher.toolbarManager.buttonSave.enable()):(this.sketcher.toolbarManager.buttonClean.disable(),this.sketcher.toolbarManager.buttonCalculate.disable(),this.sketcher.toolbarManager.buttonSave.disable()))};this.setBounds=function(){if(this.isActive()){this.sketcher.repaint();this.bounds=new a.Bounds;for(var b=0,c=this.atoms.length;b<c;b++)this.bounds.expand(this.atoms[b].getBounds());b=0;for(c=this.shapes.length;b<c;b++)this.bounds.expand(this.shapes[b].getBounds()); +this.bounds.minX-=5;this.bounds.minY-=5;this.bounds.maxX+=5;this.bounds.maxY+=5}else this.bounds=void 0};this.empty=function(){for(var a=0,c=this.atoms.length;a<c;a++)this.atoms[a].isLassoed=!1;a=0;for(c=this.shapes.length;a<c;a++)this.shapes[a].isLassoed=!1;this.atoms=[];this.shapes=[];this.bounds=void 0;this.enableButtons();this.sketcher.repaint()};this.draw=function(a,c){a.strokeStyle="blue";a.lineWidth=0.5/c.scale;if(0<this.points.length)if(this.mode===f.Lasso.MODE_RECTANGLE_MARQUEE){if(2===this.points.length){var d= +this.points[0],e=this.points[1];a.beginPath();a.rect(d.x,d.y,e.x-d.x,e.y-d.y);a.stroke()}}else if(1<this.points.length){a.beginPath();a.moveTo(this.points[0].x,this.points[0].y);d=1;for(e=this.points.length;d<e;d++)a.lineTo(this.points[d].x,this.points[d].y);a.closePath();a.stroke()}this.bounds&&(a.beginPath(),a.rect(this.bounds.minX,this.bounds.minY,this.bounds.maxX-this.bounds.minX,this.bounds.maxY-this.bounds.minY),a.stroke())};this.isActive=function(){return 0<this.atoms.length||0<this.shapes.length}; +this.getFirstMolecule=function(){if(0<this.atoms.length)return this.sketcher.getMoleculeByAtom(this.atoms[0])};this.getAllPoints=function(){for(var a=this.atoms,c=0,d=this.shapes.length;c<d;c++)a=a.concat(this.shapes[c].getPoints());return a};this.addPoint=function(a){if(this.mode===f.Lasso.MODE_RECTANGLE_MARQUEE)if(2>this.points.length)this.points.push(a);else{var c=this.points[1];c.x=a.x;c.y=a.y}else this.points.push(a)};return!0};f.Lasso.MODE_LASSO="lasso";f.Lasso.MODE_LASSO_SHAPES="shapes";f.Lasso.MODE_RECTANGLE_MARQUEE= +"rectangle"})(ChemDoodle.math,ChemDoodle.monitor,ChemDoodle.sketcher.tools,jQuery.inArray); +(function(a,d,f,c,e,b,h,j,m){a.SketcherCanvas=function(a,d,j,i){this.isMobile=void 0===i.isMobile?f.supports_touch():i.isMobile;this.useServices=void 0===i.useServices?!1:i.useServices;this.oneMolecule=void 0===i.oneMolecule?!1:i.oneMolecule;this.includeToolbar=void 0===i.includeToolbar?!0:i.includeToolbar;this.id=a;this.toolbarManager=new c.gui.ToolbarManager(this);if(this.includeToolbar){this.toolbarManager.write();var o=this;document.getElementById(this.id)?h("#"+a+"_button_attribute_lonePair_decrement_icon").load(function(){o.toolbarManager.setup()}): +h(m).load(function(){o.toolbarManager.setup()});this.dialogManager=new c.gui.DialogManager(this)}this.stateManager=new c.states.StateManager(this);this.historyManager=new c.actions.HistoryManager(this);a&&this.create(a,d,j);this.specs.atoms_circleDiameter_2D=7;this.specs.atoms_circleBorderWidth_2D=0;this.isHelp=!1;this.helpPos=new e.Point(this.width-20,20);this.lastPinchScale=1;this.lastGestureRotate=0;this.inGesture=!1;this.oneMolecule?(a=new e.Molecule,a.atoms.push(new e.Atom),this.loadMolecule(a)): +(this.startAtom=new e.Atom("C",-10,-10),this.startAtom.isLone=!0,this.lasso=new b.Lasso(this));return!0};a.SketcherCanvas.prototype=new a._Canvas;a.SketcherCanvas.prototype.drawSketcherDecorations=function(a){a.save();a.translate(this.width/2,this.height/2);a.rotate(this.specs.rotateAngle);a.scale(this.specs.scale,this.specs.scale);a.translate(-this.width/2,-this.height/2);this.hovering&&this.hovering.drawDecorations(a,this.specs);this.startAtom&&-10!=this.startAtom.x&&!this.isMobile&&this.startAtom.draw(a, +this.specs);this.tempAtom&&(a.strokeStyle="#00FF00",a.fillStyle="#00FF00",a.lineWidth=1,a.beginPath(),a.moveTo(this.hovering.x,this.hovering.y),d.contextHashTo(a,this.hovering.x,this.hovering.y,this.tempAtom.x,this.tempAtom.y,2,2),a.stroke(),a.beginPath(),a.arc(this.tempAtom.x,this.tempAtom.y,3,0,2*j.PI,!1),a.fill(),this.tempAtom.isOverlap&&(a.strokeStyle="#C10000",a.lineWidth=1.2,a.beginPath(),a.arc(this.tempAtom.x,this.tempAtom.y,7,0,2*j.PI,!1),a.stroke()));if(this.tempRing){a.strokeStyle="#00FF00"; +a.fillStyle="#00FF00";a.lineWidth=1;a.beginPath();if(this.hovering instanceof e.Atom){a.moveTo(this.hovering.x,this.hovering.y);d.contextHashTo(a,this.hovering.x,this.hovering.y,this.tempRing[0].x,this.tempRing[0].y,2,2);for(var b=1,c=this.tempRing.length;b<c;b++)d.contextHashTo(a,this.tempRing[b-1].x,this.tempRing[b-1].y,this.tempRing[b].x,this.tempRing[b].y,2,2);d.contextHashTo(a,this.tempRing[this.tempRing.length-1].x,this.tempRing[this.tempRing.length-1].y,this.hovering.x,this.hovering.y,2,2)}else if(this.hovering instanceof +e.Bond){var b=this.hovering.a2,f=this.hovering.a1;this.tempRing[0]===this.hovering.a1&&(b=this.hovering.a1,f=this.hovering.a2);a.moveTo(b.x,b.y);d.contextHashTo(a,b.x,b.y,this.tempRing[1].x,this.tempRing[1].y,2,2);b=2;for(c=this.tempRing.length;b<c;b++)d.contextHashTo(a,this.tempRing[b-1].x,this.tempRing[b-1].y,this.tempRing[b].x,this.tempRing[b].y,2,2);d.contextHashTo(a,this.tempRing[this.tempRing.length-1].x,this.tempRing[this.tempRing.length-1].y,f.x,f.y,2,2)}a.stroke()}this.lasso&&this.lasso.draw(a, +this.specs);this.stateManager.getCurrentState().draw&&this.stateManager.getCurrentState().draw(a);a.restore()};a.SketcherCanvas.prototype.drawChildExtras=function(a){this.drawSketcherDecorations(a);if(!this.hideHelp){var b=a.createRadialGradient(this.width-20,20,10,this.width-20,20,2);b.addColorStop(0,"#00680F");b.addColorStop(1,"#FFFFFF");a.fillStyle=b;a.beginPath();a.arc(this.helpPos.x,this.helpPos.y,10,0,2*j.PI,!1);a.fill();this.isHelp&&(a.lineWidth=2,a.strokeStyle="black",a.stroke());a.fillStyle= +this.isHelp?"red":"black";a.textAlign="center";a.textBaseline="middle";a.font="14px sans-serif";a.fillText("?",this.helpPos.x,this.helpPos.y)}this.paidToHideTrademark||(b=a.measureText("ChemDoodle").width,a.textAlign="left",a.textBaseline="bottom",a.font="14px sans-serif",a.fillStyle="rgba(0, 60, 0, 0.5)",a.fillText("ChemDoodle",this.width-b-13,this.height-4),a.font="8px sans-serif",a.fillText("\u00ae",this.width-13,this.height-12))};a.SketcherCanvas.prototype.scaleEvent=function(a){a.op=new e.Point(a.p.x, +a.p.y);1!==this.specs.scale&&(a.p.x=this.width/2+(a.p.x-this.width/2)/this.specs.scale,a.p.y=this.height/2+(a.p.y-this.height/2)/this.specs.scale)};a.SketcherCanvas.prototype.checkScale=function(){0.5>this.specs.scale?this.specs.scale=0.5:10<this.specs.scale&&(this.specs.scale=10)};a.SketcherCanvas.prototype.click=function(a){this.scaleEvent(a);this.stateManager.getCurrentState().click(a)};a.SketcherCanvas.prototype.rightclick=function(a){this.scaleEvent(a);this.stateManager.getCurrentState().rightclick(a)}; +a.SketcherCanvas.prototype.dblclick=function(a){this.scaleEvent(a);this.stateManager.getCurrentState().dblclick(a)};a.SketcherCanvas.prototype.mousedown=function(a){this.scaleEvent(a);this.stateManager.getCurrentState().mousedown(a)};a.SketcherCanvas.prototype.rightmousedown=function(a){this.scaleEvent(a);this.stateManager.getCurrentState().rightmousedown(a)};a.SketcherCanvas.prototype.mousemove=function(a){this.isHelp=!1;10>a.p.distance(this.helpPos)&&(this.isHelp=!0);this.scaleEvent(a);this.stateManager.getCurrentState().mousemove(a)}; +a.SketcherCanvas.prototype.mouseout=function(a){this.scaleEvent(a);this.stateManager.getCurrentState().mouseout(a)};a.SketcherCanvas.prototype.mouseover=function(a){this.scaleEvent(a);this.stateManager.getCurrentState().mouseover(a)};a.SketcherCanvas.prototype.mouseup=function(a){this.scaleEvent(a);this.stateManager.getCurrentState().mouseup(a)};a.SketcherCanvas.prototype.rightmouseup=function(a){this.scaleEvent(a);this.stateManager.getCurrentState().rightmouseup(a)};a.SketcherCanvas.prototype.mousewheel= +function(a,b){this.scaleEvent(a);this.stateManager.getCurrentState().mousewheel(a,b)};a.SketcherCanvas.prototype.drag=function(a){this.scaleEvent(a);this.stateManager.getCurrentState().drag(a)};a.SketcherCanvas.prototype.keydown=function(a){this.scaleEvent(a);this.stateManager.getCurrentState().keydown(a)};a.SketcherCanvas.prototype.keypress=function(a){this.scaleEvent(a);this.stateManager.getCurrentState().keypress(a)};a.SketcherCanvas.prototype.keyup=function(a){this.scaleEvent(a);this.stateManager.getCurrentState().keyup(a)}; +a.SketcherCanvas.prototype.touchstart=function(a){if(a.originalEvent.touches&&1<a.originalEvent.touches.length){if(this.tempAtom||this.tempRing)this.hovering=this.tempRing=this.tempAtom=void 0,this.repaint();this.lastPoint=void 0}else this.scaleEvent(a),this.stateManager.getCurrentState().mousemove(a),this.stateManager.getCurrentState().mousedown(a)};a.SketcherCanvas.prototype.touchmove=function(a){this.scaleEvent(a);this.inGesture||this.stateManager.getCurrentState().drag(a)};a.SketcherCanvas.prototype.touchend= +function(a){this.scaleEvent(a);this.stateManager.getCurrentState().mouseup(a);this.hovering&&(this.stateManager.getCurrentState().clearHover(),this.repaint())};a.SketcherCanvas.prototype.gesturechange=function(a){this.inGesture=!0;if(1!==a.originalEvent.scale-this.lastPinchScale){if(!this.lasso||!this.lasso.isActive())this.specs.scale*=a.originalEvent.scale/this.lastPinchScale,this.checkScale();this.lastPinchScale=a.originalEvent.scale}if(0!==this.lastGestureRotate-a.originalEvent.rotation){var b= +(this.lastGestureRotate-a.originalEvent.rotation)/180*j.PI;if(this.parentAction){this.parentAction.dif+=b;for(var d=0,f=this.parentAction.ps.length;d<f;d++){var h=this.parentAction.ps[d],k=this.parentAction.center.distance(h),m=this.parentAction.center.angle(h)+b;h.x=this.parentAction.center.x+k*j.cos(m);h.y=this.parentAction.center.y-k*j.sin(m)}d=0;for(f=this.molecules.length;d<f;d++)this.molecules[d].check();this.lasso&&this.lasso.isActive()&&this.lasso.setBounds()}else d=this.lasso&&this.lasso.isActive()? +this.lasso.getAllPoints():this.getAllPoints(),f=this.lasso&&this.lasso.isActive()?new e.Point((this.lasso.bounds.minX+this.lasso.bounds.maxX)/2,(this.lasso.bounds.minY+this.lasso.bounds.maxY)/2):new e.Point(this.width/2,this.height/2),this.parentAction=new c.actions.RotateAction(d,b,f),this.historyManager.pushUndo(this.parentAction);this.lastGestureRotate=a.originalEvent.rotation}this.repaint()};a.SketcherCanvas.prototype.gestureend=function(){this.inGesture=!1;this.lastPinchScale=1;this.lastGestureRotate= +0;this.parentAction=void 0}})(ChemDoodle,ChemDoodle.extensions,ChemDoodle.featureDetection,ChemDoodle.sketcher,ChemDoodle.structures,ChemDoodle.sketcher.tools,jQuery,Math,window); Added: trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/js/ChemDoodleWeb.js =================================================================== --- trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/js/ChemDoodleWeb.js (rev 0) +++ trunk/cantharella.web/src/main/webapp/ChemDoodleWeb/js/ChemDoodleWeb.js 2013-01-24 11:34:39 UTC (rev 57) @@ -0,0 +1,425 @@ +// +// ChemDoodle Web Components 5.0.0 +// +// http://web.chemdoodle.com +// +// Copyright 2009-2012 iChemLabs, LLC. All rights reserved. +// +// This program is free software: you can redistribute it and/or modify +// it under the terms of the GNU General Public License as published by +// the Free Software Foundation, either version 3 of the License, or +// (at your option) any later version. +// +// As a special exception to the GPL, any HTML file in a public website +// or any free web service which merely makes function calls to this +// code, and for that purpose includes it by reference, shall be deemed +// a separate work for copyright law purposes. If you modify this code, +// you may extend this exception to your version of the code, but you +// are not obligated to do so. If you do not wish to do so, delete this +// exception statement from your version. +// +// As an additional exception to the GPL, you may distribute this +// packed form of the code without the copy of the GPL license normally +// required, provided you include this license notice and a URL through +// which recipients can access the corresponding unpacked source code. +// +// This program is distributed in the hope that it will be useful, +// but WITHOUT ANY WARRANTY; without even the implied warranty of +// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the +// GNU General Public License for more details. +// +// Please contact iChemLabs <http://www.ichemlabs.com/contact> for +// alternate licensing options. +// +var ChemDoodle=function(){var b={structures:{}};b.structures.d2={};b.structures.d3={};b.iChemLabs={};b.informatics={};b.io={};b.getVersion=function(){return"5.0.0"};return b}(); +ChemDoodle.extensions=function(b,e,a){return{stringStartsWith:function(a,c){return a.slice(0,c.length)===c},vec3AngleFrom:function(b,c){var d=e.length(b),f=e.length(c),d=e.dot(b,c)/d/f;return a.acos(d)},contextHashTo:function(a,c,d,f,q,g,e){for(var m=0,j=(new b.Point(c,d)).distance(new b.Point(f,q)),l=!1,n=c,r=d,c=f-c,d=q-d;m<j;){if(l)if(m+e>j){a.moveTo(f,q);break}else{var k=e/j,n=n+k*c,r=r+k*d;a.moveTo(n,r);m+=e}else if(m+g>j){a.lineTo(f,q);break}else k=g/j,n+=k*c,r+=k*d,a.lineTo(n,r),m+=g;l=!l}}, +contextRoundRect:function(a,c,d,f,q,g){a.beginPath();a.moveTo(c+g,d);a.lineTo(c+f-g,d);a.quadraticCurveTo(c+f,d,c+f,d+g);a.lineTo(c+f,d+q-g);a.quadraticCurveTo(c+f,d+q,c+f-g,d+q);a.lineTo(c+g,d+q);a.quadraticCurveTo(c,d+q,c,d+q-g);a.lineTo(c,d+g);a.quadraticCurveTo(c,d,c+g,d);a.closePath()},contextEllipse:function(a,c,d,f,q){var g=0.5522848*(f/2),b=0.5522848*(q/2),m=c+f,j=d+q,f=c+f/2,q=d+q/2;a.beginPath();a.moveTo(c,q);a.bezierCurveTo(c,q-b,f-g,d,f,d);a.bezierCurveTo(f+g,d,m,q-b,m,q);a.bezierCurveTo(m, +q+b,f+g,j,f,j);a.bezierCurveTo(f-g,j,c,q+b,c,q);a.closePath()}}}(ChemDoodle.structures,vec3,Math); +ChemDoodle.math=function(b,e,a){var h={},c={aliceblue:"#f0f8ff",antiquewhite:"#faebd7",aqua:"#00ffff",aquamarine:"#7fffd4",azure:"#f0ffff",beige:"#f5f5dc",bisque:"#ffe4c4",black:"#000000",blanchedalmond:"#ffebcd",blue:"#0000ff",blueviolet:"#8a2be2",brown:"#a52a2a",burlywood:"#deb887",cadetblue:"#5f9ea0",chartreuse:"#7fff00",chocolate:"#d2691e",coral:"#ff7f50",cornflowerblue:"#6495ed",cornsilk:"#fff8dc",crimson:"#dc143c",cyan:"#00ffff",darkblue:"#00008b",darkcyan:"#008b8b",darkgoldenrod:"#b8860b", +darkgray:"#a9a9a9",darkgreen:"#006400",darkkhaki:"#bdb76b",darkmagenta:"#8b008b",darkolivegreen:"#556b2f",darkorange:"#ff8c00",darkorchid:"#9932cc",darkred:"#8b0000",darksalmon:"#e9967a",darkseagreen:"#8fbc8f",darkslateblue:"#483d8b",darkslategray:"#2f4f4f",darkturquoise:"#00ced1",darkviolet:"#9400d3",deeppink:"#ff1493",deepskyblue:"#00bfff",dimgray:"#696969",dodgerblue:"#1e90ff",firebrick:"#b22222",floralwhite:"#fffaf0",forestgreen:"#228b22",fuchsia:"#ff00ff",gainsboro:"#dcdcdc",ghostwhite:"#f8f8ff", +gold:"#ffd700",goldenrod:"#daa520",gray:"#808080",green:"#008000",greenyellow:"#adff2f",honeydew:"#f0fff0",hotpink:"#ff69b4","indianred ":"#cd5c5c","indigo ":"#4b0082",ivory:"#fffff0",khaki:"#f0e68c",lavender:"#e6e6fa",lavenderblush:"#fff0f5",lawngreen:"#7cfc00",lemonchiffon:"#fffacd",lightblue:"#add8e6",lightcoral:"#f08080",lightcyan:"#e0ffff",lightgoldenrodyellow:"#fafad2",lightgrey:"#d3d3d3",lightgreen:"#90ee90",lightpink:"#ffb6c1",lightsalmon:"#ffa07a",lightseagreen:"#20b2aa",lightskyblue:"#87cefa", 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+a.Yb.covalentRadius=1.87;a.Lu.covalentRadius=1.87;a.Hf.covalentRadius=1.75;a.Ta.covalentRadius=1.7;a.W.covalentRadius=1.62;a.Re.covalentRadius=1.51;a.Os.covalentRadius=1.44;a.Ir.covalentRadius=1.41;a.Pt.covalentRadius=1.36;a.Au.covalentRadius=1.36;a.Hg.covalentRadius=1.32;a.Tl.covalentRadius=1.45;a.Pb.covalentRadius=1.46;a.Bi.covalentRadius=1.48;a.Po.covalentRadius=1.4;a.At.covalentRadius=1.5;a.Rn.covalentRadius=1.5;a.Fr.covalentRadius=2.6;a.Ra.covalentRadius=2.21;a.Ac.covalentRadius=2.15;a.Th.covalentRadius= +2.06;a.Pa.covalentRadius=2;a.U.covalentRadius=1.96;a.Np.covalentRadius=1.9;a.Pu.covalentRadius=1.87;a.Am.covalentRadius=1.8;a.Cm.covalentRadius=1.69;a.Bk.covalentRadius=0;a.Cf.covalentRadius=0;a.Es.covalentRadius=0;a.Fm.covalentRadius=0;a.Md.covalentRadius=0;a.No.covalentRadius=0;a.Lr.covalentRadius=0;a.Rf.covalentRadius=0;a.Db.covalentRadius=0;a.Sg.covalentRadius=0;a.Bh.covalentRadius=0;a.Hs.covalentRadius=0;a.Mt.covalentRadius=0;a.Ds.covalentRadius=0;a.Rg.covalentRadius=0;a.Cn.covalentRadius=0; +a.Uut.covalentRadius=0;a.Uuq.covalentRadius=0;a.Uup.covalentRadius=0;a.Uuh.covalentRadius=0;a.Uus.covalentRadius=0;a.Uuo.covalentRadius=0;a.H.vdWRadius=1.2;a.He.vdWRadius=1.4;a.Li.vdWRadius=1.82;a.Be.vdWRadius=0;a.B.vdWRadius=0;a.C.vdWRadius=1.7;a.N.vdWRadius=1.55;a.O.vdWRadius=1.52;a.F.vdWRadius=1.47;a.Ne.vdWRadius=1.54;a.Na.vdWRadius=2.27;a.Mg.vdWRadius=1.73;a.Al.vdWRadius=0;a.Si.vdWRadius=2.1;a.P.vdWRadius=1.8;a.S.vdWRadius=1.8;a.Cl.vdWRadius=1.75;a.Ar.vdWRadius=1.88;a.K.vdWRadius=2.75;a.Ca.vdWRadius= +0;a.Sc.vdWRadius=0;a.Ti.vdWRadius=0;a.V.vdWRadius=0;a.Cr.vdWRadius=0;a.Mn.vdWRadius=0;a.Fe.vdWRadius=0;a.Co.vdWRadius=0;a.Ni.vdWRadius=1.63;a.Cu.vdWRadius=1.4;a.Zn.vdWRadius=1.39;a.Ga.vdWRadius=1.87;a.Ge.vdWRadius=0;a.As.vdWRadius=1.85;a.Se.vdWRadius=1.9;a.Br.vdWRadius=1.85;a.Kr.vdWRadius=2.02;a.Rb.vdWRadius=0;a.Sr.vdWRadius=0;a.Y.vdWRadius=0;a.Zr.vdWRadius=0;a.Nb.vdWRadius=0;a.Mo.vdWRadius=0;a.Tc.vdWRadius=0;a.Ru.vdWRadius=0;a.Rh.vdWRadius=0;a.Pd.vdWRadius=1.63;a.Ag.vdWRadius=1.72;a.Cd.vdWRadius= +1.58;a.In.vdWRadius=1.93;a.Sn.vdWRadius=2.17;a.Sb.vdWRadius=0;a.Te.vdWRadius=2.06;a.I.vdWRadius=1.98;a.Xe.vdWRadius=2.16;a.Cs.vdWRadius=0;a.Ba.vdWRadius=0;a.La.vdWRadius=0;a.Ce.vdWRadius=0;a.Pr.vdWRadius=0;a.Nd.vdWRadius=0;a.Pm.vdWRadius=0;a.Sm.vdWRadius=0;a.Eu.vdWRadius=0;a.Gd.vdWRadius=0;a.Tb.vdWRadius=0;a.Dy.vdWRadius=0;a.Ho.vdWRadius=0;a.Er.vdWRadius=0;a.Tm.vdWRadius=0;a.Yb.vdWRadius=0;a.Lu.vdWRadius=0;a.Hf.vdWRadius=0;a.Ta.vdWRadius=0;a.W.vdWRadius=0;a.Re.vdWRadius=0;a.Os.vdWRadius=0;a.Ir.vdWRadius= +0;a.Pt.vdWRadius=1.75;a.Au.vdWRadius=1.66;a.Hg.vdWRadius=1.55;a.Tl.vdWRadius=1.96;a.Pb.vdWRadius=2.02;a.Bi.vdWRadius=0;a.Po.vdWRadius=0;a.At.vdWRadius=0;a.Rn.vdWRadius=0;a.Fr.vdWRadius=0;a.Ra.vdWRadius=0;a.Ac.vdWRadius=0;a.Th.vdWRadius=0;a.Pa.vdWRadius=0;a.U.vdWRadius=1.86;a.Np.vdWRadius=0;a.Pu.vdWRadius=0;a.Am.vdWRadius=0;a.Cm.vdWRadius=0;a.Bk.vdWRadius=0;a.Cf.vdWRadius=0;a.Es.vdWRadius=0;a.Fm.vdWRadius=0;a.Md.vdWRadius=0;a.No.vdWRadius=0;a.Lr.vdWRadius=0;a.Rf.vdWRadius=0;a.Db.vdWRadius=0;a.Sg.vdWRadius= +0;a.Bh.vdWRadius=0;a.Hs.vdWRadius=0;a.Mt.vdWRadius=0;a.Ds.vdWRadius=0;a.Rg.vdWRadius=0;a.Cn.vdWRadius=0;a.Uut.vdWRadius=0;a.Uuq.vdWRadius=0;a.Uup.vdWRadius=0;a.Uuh.vdWRadius=0;a.Uus.vdWRadius=0;a.Uuo.vdWRadius=0;a.H.valency=1;a.He.valency=0;a.Li.valency=1;a.Be.valency=2;a.B.valency=3;a.C.valency=4;a.N.valency=3;a.O.valency=2;a.F.valency=1;a.Ne.valency=0;a.Na.valency=1;a.Mg.valency=0;a.Al.valency=0;a.Si.valency=4;a.P.valency=3;a.S.valency=2;a.Cl.valency=1;a.Ar.valency=0;a.K.valency=0;a.Ca.valency= +0;a.Sc.valency=0;a.Ti.valency=1;a.V.valency=1;a.Cr.valency=2;a.Mn.valency=3;a.Fe.valency=2;a.Co.valency=1;a.Ni.valency=1;a.Cu.valency=0;a.Zn.valency=0;a.Ga.valency=0;a.Ge.valency=4;a.As.valency=3;a.Se.valency=2;a.Br.valency=1;a.Kr.valency=0;a.Rb.valency=0;a.Sr.valency=0;a.Y.valency=0;a.Zr.valency=0;a.Nb.valency=1;a.Mo.valency=2;a.Tc.valency=3;a.Ru.valency=2;a.Rh.valency=1;a.Pd.valency=0;a.Ag.valency=0;a.Cd.valency=0;a.In.valency=0;a.Sn.valency=4;a.Sb.valency=3;a.Te.valency=2;a.I.valency=1;a.Xe.valency= +0;a.Cs.valency=0;a.Ba.valency=0;a.La.valency=0;a.Ce.valency=0;a.Pr.valency=0;a.Nd.valency=0;a.Pm.valency=0;a.Sm.valency=0;a.Eu.valency=0;a.Gd.valency=0;a.Tb.valency=0;a.Dy.valency=0;a.Ho.valency=0;a.Er.valency=0;a.Tm.valency=0;a.Yb.valency=0;a.Lu.valency=0;a.Hf.valency=0;a.Ta.valency=1;a.W.valency=2;a.Re.valency=3;a.Os.valency=2;a.Ir.valency=3;a.Pt.valency=0;a.Au.valency=1;a.Hg.valency=0;a.Tl.valency=0;a.Pb.valency=4;a.Bi.valency=3;a.Po.valency=2;a.At.valency=1;a.Rn.valency=0;a.Fr.valency=0;a.Ra.valency= +0;a.Ac.valency=0;a.Th.valency=0;a.Pa.valency=0;a.U.valency=0;a.Np.valency=0;a.Pu.valency=0;a.Am.valency=0;a.Cm.valency=0;a.Bk.valency=0;a.Cf.valency=0;a.Es.valency=0;a.Fm.valency=0;a.Md.valency=0;a.No.valency=0;a.Lr.valency=0;a.Rf.valency=0;a.Db.valency=0;a.Sg.valency=0;a.Bh.valency=0;a.Hs.valency=0;a.Mt.valency=0;a.Ds.valency=0;a.Rg.valency=0;a.Cn.valency=0;a.Uut.valency=0;a.Uuq.valency=0;a.Uup.valency=0;a.Uuh.valency=0;a.Uus.valency=0;a.Uuo.valency=0;a.H.mass=1;a.He.mass=4;a.Li.mass=7;a.Be.mass= +9;a.B.mass=11;a.C.mass=12;a.N.mass=14;a.O.mass=16;a.F.mass=19;a.Ne.mass=20;a.Na.mass=23;a.Mg.mass=24;a.Al.mass=27;a.Si.mass=28;a.P.mass=31;a.S.mass=32;a.Cl.mass=35;a.Ar.mass=40;a.K.mass=39;a.Ca.mass=40;a.Sc.mass=45;a.Ti.mass=48;a.V.mass=51;a.Cr.mass=52;a.Mn.mass=55;a.Fe.mass=56;a.Co.mass=59;a.Ni.mass=58;a.Cu.mass=63;a.Zn.mass=64;a.Ga.mass=69;a.Ge.mass=74;a.As.mass=75;a.Se.mass=80;a.Br.mass=79;a.Kr.mass=84;a.Rb.mass=85;a.Sr.mass=88;a.Y.mass=89;a.Zr.mass=90;a.Nb.mass=93;a.Mo.mass=98;a.Tc.mass=0;a.Ru.mass= +102;a.Rh.mass=103;a.Pd.mass=106;a.Ag.mass=107;a.Cd.mass=114;a.In.mass=115;a.Sn.mass=120;a.Sb.mass=121;a.Te.mass=130;a.I.mass=127;a.Xe.mass=132;a.Cs.mass=133;a.Ba.mass=138;a.La.mass=139;a.Ce.mass=140;a.Pr.mass=141;a.Nd.mass=142;a.Pm.mass=0;a.Sm.mass=152;a.Eu.mass=153;a.Gd.mass=158;a.Tb.mass=159;a.Dy.mass=164;a.Ho.mass=165;a.Er.mass=166;a.Tm.mass=169;a.Yb.mass=174;a.Lu.mass=175;a.Hf.mass=180;a.Ta.mass=181;a.W.mass=184;a.Re.mass=187;a.Os.mass=192;a.Ir.mass=193;a.Pt.mass=195;a.Au.mass=197;a.Hg.mass=202; +a.Tl.mass=205;a.Pb.mass=208;a.Bi.mass=209;a.Po.mass=0;a.At.mass=0;a.Rn.mass=0;a.Fr.mass=0;a.Ra.mass=0;a.Ac.mass=0;a.Th.mass=232;a.Pa.mass=231;a.U.mass=238;a.Np.mass=0;a.Pu.mass=0;a.Am.mass=0;a.Cm.mass=0;a.Bk.mass=0;a.Cf.mass=0;a.Es.mass=0;a.Fm.mass=0;a.Md.mass=0;a.No.mass=0;a.Lr.mass=0;a.Rf.mass=0;a.Db.mass=0;a.Sg.mass=0;a.Bh.mass=0;a.Hs.mass=0;a.Mt.mass=0;a.Ds.mass=0;a.Rg.mass=0;a.Cn.mass=0;a.Uut.mass=0;a.Uuq.mass=0;a.Uup.mass=0;a.Uuh.mass=0;a.Uus.mass=0;a.Uuo.mass=0;return a}(ChemDoodle.SYMBOLS); +ChemDoodle.RESIDUE=function(){function b(a,b){this.symbol=a;this.name=b;return!0}var e=[];e.Ala=new b("Ala","Alanine");e.Arg=new b("Arg","Arginine");e.Asn=new b("Asn","Asparagine");e.Asp=new b("Asp","Aspartic Acid");e.Cys=new b("Cys","Cysteine");e.Gln=new b("Gln","Glutamine");e.Glu=new b("Glu","Glutamic Acid");e.Gly=new b("Gly","Glycine");e.His=new b("His","Histidine");e.Ile=new b("Ile","Isoleucine");e.Leu=new b("Leu","Leucine");e.Lys=new b("Lys","Lysine");e.Met=new b("Met","Methionine");e.Phe=new b("Phe", +"Phenylalanine");e.Pro=new b("Pro","Proline");e.Ser=new b("Ser","Serine");e.Thr=new b("Thr","Threonine");e.Trp=new b("Trp","Tryptophan");e.Tyr=new b("Tyr","Tyrosine");e.Val=new b("Val","Valine");e.Asx=new b("Asx","Asparagine/Aspartic Acid");e.Glx=new b("Glx","Glutamine/Glutamic Acid");e["*"]=new b("*","Other");e.A=new b("A","Adenine");e.G=new b("G","Guanine");e.I=new b("I","");e.C=new b("C","Cytosine");e.T=new b("T","Thymine");e.U=new b("U","Uracil");e.Ala.polar=!1;e.Arg.polar=!0;e.Asn.polar=!0;e.Asp.polar= +!0;e.Cys.polar=!0;e.Gln.polar=!0;e.Glu.polar=!0;e.Gly.polar=!1;e.His.polar=!0;e.Ile.polar=!1;e.Leu.polar=!1;e.Lys.polar=!0;e.Met.polar=!1;e.Phe.polar=!1;e.Pro.polar=!1;e.Ser.polar=!0;e.Thr.polar=!0;e.Trp.polar=!0;e.Tyr.polar=!0;e.Val.polar=!1;e.Asx.polar=!0;e.Glx.polar=!0;e.Ala.aminoColor="#C8C8C8";e.Arg.aminoColor="#145AFF";e.Asn.aminoColor="#00DCDC";e.Asp.aminoColor="#E60A0A";e.Cys.aminoColor="#E6E600";e.Gln.aminoColor="#00DCDC";e.Glu.aminoColor="#E60A0A";e.Gly.aminoColor="#EBEBEB";e.His.aminoColor= +"#8282D2";e.Ile.aminoColor="#0F820F";e.Leu.aminoColor="#0F820F";e.Lys.aminoColor="#145AFF";e.Met.aminoColor="#E6E600";e.Phe.aminoColor="#3232AA";e.Pro.aminoColor="#DC9682";e.Ser.aminoColor="#FA9600";e.Thr.aminoColor="#FA9600";e.Trp.aminoColor="#B45AB4";e.Tyr.aminoColor="#3232AA";e.Val.aminoColor="#0F820F";e.Asx.aminoColor="#FF69B4";e.Glx.aminoColor="#FF69B4";e["*"].aminoColor="#BEA06E";e.A.aminoColor="#BEA06E";e.G.aminoColor="#BEA06E";e.I.aminoColor="#BEA06E";e.C.aminoColor="#BEA06E";e.T.aminoColor= +"#BEA06E";e.U.aminoColor="#BEA06E";e.Ala.shapelyColor="#8CFF8C";e.Arg.shapelyColor="#00007C";e.Asn.shapelyColor="#FF7C70";e.Asp.shapelyColor="#A00042";e.Cys.shapelyColor="#FFFF70";e.Gln.shapelyColor="#FF4C4C";e.Glu.shapelyColor="#660000";e.Gly.shapelyColor="#FFFFFF";e.His.shapelyColor="#7070FF";e.Ile.shapelyColor="#004C00";e.Leu.shapelyColor="#455E45";e.Lys.shapelyColor="#4747B8";e.Met.shapelyColor="#B8A042";e.Phe.shapelyColor="#534C52";e.Pro.shapelyColor="#525252";e.Ser.shapelyColor="#FF7042";e.Thr.shapelyColor= +"#B84C00";e.Trp.shapelyColor="#4F4600";e.Tyr.shapelyColor="#8C704C";e.Val.shapelyColor="#FF8CFF";e.Asx.shapelyColor="#FF00FF";e.Glx.shapelyColor="#FF00FF";e["*"].shapelyColor="#FF00FF";e.A.shapelyColor="#A0A0FF";e.G.shapelyColor="#FF7070";e.I.shapelyColor="#80FFFF";e.C.shapelyColor="#FF8C4B";e.T.shapelyColor="#A0FFA0";e.U.shapelyColor="#FF8080";return e}(); +(function(b){b.Queue=function(){var b=[],a=0;this.getSize=function(){return b.length-a};this.isEmpty=function(){return 0===b.length};this.enqueue=function(a){b.push(a)};this.dequeue=function(){var h;b.length&&(h=b[a],2*++a>=b.length&&(b=b.slice(a),a=0));return h};this.getOldestElement=function(){var h;b.length&&(h=b[a]);return h}}})(ChemDoodle.structures); +(function(b,e){b.Point=function(a,b){this.x=a?a:0;this.y=b?b:0;this.sub=function(a){this.x-=a.x;this.y-=a.y};this.add=function(a){this.x+=a.x;this.y+=a.y};this.distance=function(a){var d=a.x-this.x,a=a.y-this.y;return e.sqrt(d*d+a*a)};this.angleForStupidCanvasArcs=function(a){for(var d=a.x-this.x,a=a.y-this.y,f=0,f=0===d?0===a?0:0<a?e.PI/2:3*e.PI/2:0===a?0<d?0:e.PI:0>d?e.atan(a/d)+e.PI:0>a?e.atan(a/d)+2*e.PI:e.atan(a/d);0>f;)f+=2*e.PI;return f%=2*e.PI};this.angle=function(a){for(var d=a.x-this.x, +a=this.y-a.y,f=0,f=0===d?0===a?0:0<a?e.PI/2:3*e.PI/2:0===a?0<d?0:e.PI:0>d?e.atan(a/d)+e.PI:0>a?e.atan(a/d)+2*e.PI:e.atan(a/d);0>f;)f+=2*e.PI;return f%=2*e.PI};return!0}})(ChemDoodle.structures,Math); +(function(b,e,a,h,c,d){h.Atom=function(f,h,g,o){this.x=h?h:0;this.y=g?g:0;this.z=o?o:0;this.numRadical=this.numLonePair=this.charge=0;this.mass=-1;this.angleOfLeastInterference=this.bondNumber=this.coordinationNumber=0;this.isHidden=!1;this.label=f?f.replace(/\s/g,""):"C";b[this.label]||(this.label="C");this.altLabel=void 0;this.any=!1;this.rgroup=-1;this.isSelected=this.isHover=this.isLone=!1;this.add3D=function(a){this.x=this.x+a.x;this.y=this.y+a.y;this.z=this.z+a.z};this.sub3D=function(a){this.x= +this.x-a.x;this.y=this.y-a.y;this.z=this.z-a.z};this.distance3D=function(a){var d=a.x-this.x,f=a.y-this.y,a=a.z-this.z;return c.sqrt(d*d+f*f+a*a)};this.draw=function(a,d){if(this.isLassoed){var f=a.createRadialGradient(this.x-1,this.y-1,0,this.x,this.y,7);f.addColorStop(0,"rgba(212, 99, 0, 0)");f.addColorStop(0.7,"rgba(212, 99, 0, 0.8)");a.fillStyle=f;a.beginPath();a.arc(this.x,this.y,5,0,c.PI*2,false);a.fill()}this.textBounds=[];if(this.specs)d=this.specs;f=d.getFontString(d.atoms_font_size_2D,d.atoms_font_families_2D, +d.atoms_font_bold_2D,d.atoms_font_italic_2D);a.font=f;a.fillStyle=d.atoms_color;if(!this.any&&this.rgroup===-1)if(d.atoms_useJMOLColors)a.fillStyle=b[this.label].jmolColor;else if(d.atoms_usePYMOLColors)a.fillStyle=b[this.label].pymolColor;if(this.isLone&&!d.atoms_displayAllCarbonLabels_2D||d.atoms_circles_2D){a.beginPath();a.arc(this.x,this.y,d.atoms_circleDiameter_2D/2,0,c.PI*2,false);a.fill();if(d.atoms_circleBorderWidth_2D>0){a.lineWidth=d.atoms_circleBorderWidth_2D;a.strokeStyle="black";a.stroke(this.x, +this.y,0,c.PI*2,d.atoms_circleDiameter_2D/2)}}else if(this.isLabelVisible(d)){a.textAlign="center";a.textBaseline="middle";if(this.altLabel!==void 0){a.fillText(this.altLabel,this.x,this.y);var g=a.measureText(this.altLabel).width;this.textBounds.push({x:this.x-g/2,y:this.y-d.atoms_font_size_2D/2+1,w:g,h:d.atoms_font_size_2D-2})}else if(this.any){a.font=d.getFontString(d.atoms_font_size_2D+5,d.atoms_font_families_2D,true);a.fillText("*",this.x+1,this.y+3);g=a.measureText("*").width;this.textBounds.push({x:this.x- +g/2,y:this.y-d.atoms_font_size_2D/2+1,w:g,h:d.atoms_font_size_2D-2})}else if(this.rgroup!==-1){f="R"+this.rgroup;a.fillText(f,this.x,this.y);g=a.measureText(f).width;this.textBounds.push({x:this.x-g/2,y:this.y-d.atoms_font_size_2D/2+1,w:g,h:d.atoms_font_size_2D-2})}else{a.fillText(this.label,this.x,this.y);g=a.measureText(this.label).width;this.textBounds.push({x:this.x-g/2,y:this.y-d.atoms_font_size_2D/2+1,w:g,h:d.atoms_font_size_2D-2});if(this.mass!==-1){var h=d.getFontString(d.atoms_font_size_2D* +0.7,d.atoms_font_families_2D,d.atoms_font_bold_2D,d.atoms_font_italic_2D),q=a.font;a.font=h;h=a.measureText(this.mass).width;a.fillText(this.mass,this.x-h-0.5,this.y-d.atoms_font_size_2D*0.3);a.font=q}q=this.getImplicitHydrogenCount();if(d.atoms_implicitHydrogens_2D&&q>0){var o=a.measureText("H").width;if(q>1){var x=g/2+o/2,t=0,h=d.getFontString(d.atoms_font_size_2D*0.8,d.atoms_font_families_2D,d.atoms_font_bold_2D,d.atoms_font_italic_2D);a.font=h;var y=a.measureText(q).width;if(this.bondNumber=== +1)this.angleOfLeastInterference>c.PI/2&&this.angleOfLeastInterference<3*c.PI/2&&(x=-g/2-y-o/2);else if(!(this.angleOfLeastInterference<=c.PI/4))if(this.angleOfLeastInterference<3*c.PI/4){x=0;t=-d.atoms_font_size_2D*0.9}else if(this.angleOfLeastInterference<=5*c.PI/4)x=-g/2-y-o/2;else if(this.angleOfLeastInterference<7*c.PI/4){x=0;t=d.atoms_font_size_2D*0.9}a.font=f;a.fillText("H",this.x+x,this.y+t);a.font=h;a.fillText(q,this.x+x+o/2+y/2,this.y+t+d.atoms_font_size_2D*0.3);this.textBounds.push({x:this.x+ +x-o/2,y:this.y+t-d.atoms_font_size_2D/2+1,w:o,h:d.atoms_font_size_2D-2});this.textBounds.push({x:this.x+x+o/2,y:this.y+t+d.atoms_font_size_2D*0.3-d.atoms_font_size_2D/2+1,w:y,h:d.atoms_font_size_2D*0.8-2})}else{x=g/2+o/2;t=0;if(this.bondNumber===1)this.angleOfLeastInterference>c.PI/2&&this.angleOfLeastInterference<3*c.PI/2&&(x=-g/2-o/2);else if(!(this.angleOfLeastInterference<=c.PI/4))if(this.angleOfLeastInterference<3*c.PI/4){x=0;t=-d.atoms_font_size_2D*0.9}else if(this.angleOfLeastInterference<= +5*c.PI/4)x=-g/2-o/2;else if(this.angleOfLeastInterference<7*c.PI/4){x=0;t=d.atoms_font_size_2D*0.9}a.fillText("H",this.x+x,this.y+t);this.textBounds.push({x:this.x+x-o/2,y:this.y+t-d.atoms_font_size_2D/2+1,w:o,h:d.atoms_font_size_2D-2})}}}if(this.charge!==0){f=this.charge.toFixed(0);f=f==="1"?"+":f==="-1"?"\u2013":e.stringStartsWith(f,"-")?f.substring(1)+"\u2013":f+"+";g=this.angleOfLeastInterference;h=d.atoms_font_size_2D;this.isLabelVisible(d)&&q>0&&(g=g+c.PI/4);a.textAlign="center";a.textBaseline= +"middle";a.fillText(f,this.x+h*c.cos(g),this.y-h*c.sin(g))}if(this.numLonePair>0||this.numRadical>0){a.fillStyle="black";if(this.bondNumber===2&&c.abs(this.largestAngle-c.PI)<c.PI/60)if(this.numRadical===0){this.drawElectrons(a,d,c.floor(this.numLonePair/2),0,this.angleOfLeastInterference,this.largestAngle);this.drawElectrons(a,d,c.floor(this.numLonePair/2)+this.numLonePair%2,0,this.angleOfLeastInterference+c.PI,this.largestAngle)}else if(this.numLonePair===0){this.drawElectrons(a,d,0,c.floor(this.numRadical/ +2),this.angleOfLeastInterference,this.largestAngle);this.drawElectrons(a,d,0,c.floor(this.numRadical/2)+this.numRadical%2,this.angleOfLeastInterference+c.PI,this.largestAngle)}else{this.drawElectrons(a,d,this.numLonePair,0,this.angleOfLeastInterference,this.largestAngle);this.drawElectrons(a,d,0,this.numRadical,this.angleOfLeastInterference+c.PI,this.largestAngle)}else this.drawElectrons(a,d,this.numLonePair,this.numRadical,this.angleOfLeastInterference,this.largestAngle)}}};this.drawElectrons=function(a, +d,f,g,b,e){for(var h=e/(f+g+(this.bondNumber===0?0:1)),e=b-e/2+h,q=0;q<f;q++){var b=e+q*h,o=this.x+Math.cos(b)*d.atoms_lonePairDistance_2D,y=this.y-Math.sin(b)*d.atoms_lonePairDistance_2D,w=b+Math.PI/2,b=Math.cos(w)*d.atoms_lonePairSpread_2D/2,w=-Math.sin(w)*d.atoms_lonePairSpread_2D/2;a.beginPath();a.arc(o+b,y+w,d.atoms_lonePairDiameter_2D,0,c.PI*2,false);a.fill();a.beginPath();a.arc(o-b,y-w,d.atoms_lonePairDiameter_2D,0,c.PI*2,false);a.fill()}for(q=0;q<g;q++){b=e+(q+f)*h;o=this.x+Math.cos(b)*d.atoms_lonePairDistance_2D; +y=this.y-Math.sin(b)*d.atoms_lonePairDistance_2D;a.beginPath();a.arc(o,y,d.atoms_lonePairDiameter_2D,0,c.PI*2,false);a.fill()}};this.drawDecorations=function(a){if(this.isHover||this.isSelected){a.strokeStyle=this.isHover?"#885110":"#0060B2";a.lineWidth=1.2;a.beginPath();a.arc(this.x,this.y,this.isHover?7:15,0,c.PI*2,false);a.stroke()}if(this.isOverlap){a.strokeStyle="#C10000";a.lineWidth=1.2;a.beginPath();a.arc(this.x,this.y,7,0,c.PI*2,false);a.stroke()}};this.render=function(a,f){if(this.specs)f= +this.specs;var c=d.translate(a.modelViewMatrix,[this.x,this.y,this.z],[]),g=f.atoms_useVDWDiameters_3D?b[this.label].vdWRadius*f.atoms_vdwMultiplier_3D:f.atoms_sphereDiameter_3D/2;g===0&&(g=1);d.scale(c,[g,g,g]);g=f.atoms_color;if(f.atoms_useJMOLColors)g=b[this.label].jmolColor;else if(f.atoms_usePYMOLColors)g=b[this.label].pymolColor;a.material.setDiffuseColor(g);a.setMatrixUniforms(c);a.drawElements(a.TRIANGLES,(this.renderAsStar?a.starBuffer:a.sphereBuffer).vertexIndexBuffer.numItems,a.UNSIGNED_SHORT, +0)};this.isLabelVisible=function(a){return a.atoms_displayAllCarbonLabels_2D||this.label!=="C"||this.altLabel||this.any||this.rgroup!==-1||this.mass!==-1||this.charge!==0||this.numLonePair!==0||this.isHidden&&a.atoms_showHiddenCarbons_2D||a.atoms_displayTerminalCarbonLabels_2D&&this.bondNumber===1};this.getImplicitHydrogenCount=function(){if(this.label==="H"||!b[this.label])return 0;var a=b[this.label].valency,d=a-this.coordinationNumber;if(this.charge>0){a=4-a;d=this.charge<=a?d+this.charge:4-this.coordinationNumber- +this.charge+a}else d=d+this.charge;return d<0?0:d};this.getBounds=function(){var d=new a.Bounds;d.expand(this.x,this.y);if(this.textBounds)for(var f=0,g=this.textBounds.length;f<g;f++){var c=this.textBounds[f];d.expand(c.x,c.y,c.x+c.w,c.y+c.h)}return d};return!0};h.Atom.prototype=new h.Point(0,0)})(ChemDoodle.ELEMENT,ChemDoodle.extensions,ChemDoodle.math,ChemDoodle.structures,Math,mat4); +(function(b,e,a,h,c,d,f){a.Bond=function(q,g,o){this.a1=q;this.a2=g;this.bondOrder=o?o:1;this.stereo=a.Bond.STEREO_NONE;this.isHover=!1;this.ring=void 0;this.getCenter=function(){return new a.Point((this.a1.x+this.a2.x)/2,(this.a1.y+this.a2.y)/2)};this.getLength=function(){return this.a1.distance(this.a2)};this.getLength3D=function(){return this.a1.distance3D(this.a2)};this.contains=function(a){return a===this.a1||a===this.a2};this.getNeighbor=function(a){if(a===this.a1)return this.a2;if(a===this.a2)return this.a1}; +this.draw=function(d,f){if(!(this.a1.x===this.a2.x&&this.a1.y===this.a2.y)){this.specs&&(f=this.specs);var g=this.a1.x,q=this.a2.x,o=this.a1.y,k=this.a2.y,v=this.a1.distance(this.a2),x=q-g,t=k-o;if(this.a1.isLassoed&&this.a2.isLassoed){var y=d.createLinearGradient(g,o,q,k);y.addColorStop(0,"rgba(212, 99, 0, 0)");y.addColorStop(0.5,"rgba(212, 99, 0, 0.8)");y.addColorStop(1,"rgba(212, 99, 0, 0)");var w=2.5,u=this.a1.angle(this.a2)+c.PI/2,p=c.cos(u),u=c.sin(u),A=g-p*w,B=o+u*w,D=g+p*w,G=o-u*w,F=q+p*w, +C=k-u*w,p=q-p*w,u=k+u*w;d.fillStyle=y;d.beginPath();d.moveTo(A,B);d.lineTo(D,G);d.lineTo(F,C);d.lineTo(p,u);d.closePath();d.fill()}if(f.atoms_display&&!f.atoms_circles_2D&&this.a1.isLabelVisible(f)){w=p=0;for(A=this.a1.textBounds.length;w<A;w++)p=Math.max(p,h.calculateDistanceInterior(this.a1,this.a2,this.a1.textBounds[w]));p+=f.bonds_atomLabelBuffer_2D;p/=v;g+=x*p;o+=t*p}if(f.atoms_display&&!f.atoms_circles_2D&&this.a2.isLabelVisible(f)){w=p=0;for(A=this.a2.textBounds.length;w<A;w++)p=Math.max(p, +h.calculateDistanceInterior(this.a2,this.a1,this.a2.textBounds[w]));p+=f.bonds_atomLabelBuffer_2D;p/=v;q-=x*p;k-=t*p}f.bonds_clearOverlaps_2D&&(p=g+0.15*x,u=o+0.15*t,w=q-0.15*x,v=k-0.15*t,d.strokeStyle=f.backgroundColor,d.lineWidth=f.bonds_width_2D+2*f.bonds_overlapClearWidth_2D,d.lineCap="round",d.beginPath(),d.moveTo(p,u),d.lineTo(w,v),d.closePath(),d.stroke());d.strokeStyle=f.bonds_color;d.fillStyle=f.bonds_color;d.lineWidth=f.bonds_width_2D;d.lineCap=f.bonds_ends_2D;if(f.bonds_useJMOLColors|| +f.bonds_usePYMOLColors)p=d.createLinearGradient(g,o,q,k),u=b[this.a1.label].jmolColor,w=b[this.a2.label].jmolColor,f.atoms_usePYMOLColors&&(u=b[this.a1.label].pymolColor,w=b[this.a2.label].pymolColor),p.addColorStop(0,u),f.bonds_colorGradient||(p.addColorStop(0.5,u),p.addColorStop(0.51,w)),p.addColorStop(1,w),d.strokeStyle=p,d.fillStyle=p;switch(this.bondOrder){case 0.5:d.beginPath();d.moveTo(g,o);e.contextHashTo(d,g,o,q,k,f.bonds_hashSpacing_2D,f.bonds_hashSpacing_2D);d.stroke();break;case 1:if(this.stereo=== +a.Bond.STEREO_PROTRUDING||this.stereo===a.Bond.STEREO_RECESSED)t=f.bonds_width_2D/2,w=this.a1.distance(this.a2)*f.bonds_wedgeThickness_2D/2,u=this.a1.angle(this.a2)+c.PI/2,p=c.cos(u),u=c.sin(u),A=g-p*t,B=o+u*t,D=g+p*t,G=o-u*t,F=q+p*w,C=k-u*w,p=q-p*w,u=k+u*w,d.beginPath(),d.moveTo(A,B),d.lineTo(D,G),d.lineTo(F,C),d.lineTo(p,u),d.closePath(),this.stereo===a.Bond.STEREO_PROTRUDING?d.fill():(d.save(),d.clip(),d.lineWidth=2*w,d.lineCap="butt",d.beginPath(),d.moveTo(g,o),e.contextHashTo(d,g,o,q,k,f.bonds_hashWidth_2D, +f.bonds_hashSpacing_2D),d.stroke(),d.restore());else if(this.stereo===a.Bond.STEREO_AMBIGUOUS){d.beginPath();d.moveTo(g,o);q=c.floor(c.sqrt(x*x+t*t)/f.bonds_wavyLength_2D);k=g;u=this.a1.angle(this.a2)+c.PI/2;p=c.cos(u);u=c.sin(u);g=x/q;t/=q;w=0;for(A=q;w<A;w++)k+=g,o+=t,q=f.bonds_wavyLength_2D*p+k-0.5*g,v=f.bonds_wavyLength_2D*-u+o-0.5*t,x=f.bonds_wavyLength_2D*-p+k-0.5*g,B=f.bonds_wavyLength_2D*u+o-0.5*t,0===w%2?d.quadraticCurveTo(q,v,k,o):d.quadraticCurveTo(x,B,k,o);d.stroke();break}else d.beginPath(), +d.moveTo(g,o),d.lineTo(q,k),d.stroke();break;case 1.5:d.beginPath();d.moveTo(g,o);d.lineTo(q,k);d.stroke();break;case 2:this.stereo===a.Bond.STEREO_AMBIGUOUS?(w=this.a1.distance(this.a2)*f.bonds_saturationWidth_2D/2,u=this.a1.angle(this.a2)+c.PI/2,p=c.cos(u),u=c.sin(u),A=g-p*w,B=o+u*w,D=g+p*w,G=o-u*w,F=q+p*w,C=k-u*w,p=q-p*w,u=k+u*w,d.beginPath(),d.moveTo(A,B),d.lineTo(F,C),d.moveTo(D,G),d.lineTo(p,u),d.stroke()):!f.bonds_symmetrical_2D&&(this.ring||"C"===this.a1.label&&"C"===this.a2.label)?(d.beginPath(), +d.moveTo(g,o),d.lineTo(q,k),x=0,v=this.a1.distance(this.a2),p=this.a1.angle(this.a2),u=p+c.PI/2,w=v*f.bonds_saturationWidth_2D,t=f.bonds_saturationAngle_2D,t<c.PI/2&&(x=-(w/c.tan(t))),c.abs(x)<v/2&&(t=g-c.cos(p)*x,g=q+c.cos(p)*x,q=o+c.sin(p)*x,o=k-c.sin(p)*x,p=c.cos(u),u=c.sin(u),A=t-p*w,B=q+u*w,D=t+p*w,G=q-u*w,F=g-p*w,C=o+u*w,p=g+p*w,u=o-u*w,!this.ring||this.ring.center.angle(this.a1)>this.ring.center.angle(this.a2)&&!(this.ring.center.angle(this.a1)-this.ring.center.angle(this.a2)>c.PI)||this.ring.center.angle(this.a1)- +this.ring.center.angle(this.a2)<-c.PI?(d.moveTo(A,B),d.lineTo(F,C)):(d.moveTo(D,G),d.lineTo(p,u)),d.stroke())):(w=this.a1.distance(this.a2)*f.bonds_saturationWidth_2D/2,u=this.a1.angle(this.a2)+c.PI/2,p=c.cos(u),u=c.sin(u),A=g-p*w,B=o+u*w,D=g+p*w,G=o-u*w,F=q+p*w,C=k-u*w,p=q-p*w,u=k+u*w,d.beginPath(),d.moveTo(A,B),d.lineTo(p,u),d.moveTo(D,G),d.lineTo(F,C),d.stroke());break;case 3:w=this.a1.distance(this.a2)*f.bonds_saturationWidth_2D,u=this.a1.angle(this.a2)+c.PI/2,p=c.cos(u),u=c.sin(u),A=g-p*w,B= +o+u*w,D=g+p*w,G=o-u*w,F=q+p*w,C=k-u*w,p=q-p*w,u=k+u*w,d.beginPath(),d.moveTo(A,B),d.lineTo(p,u),d.moveTo(D,G),d.lineTo(F,C),d.moveTo(g,o),d.lineTo(q,k),d.stroke()}}};this.drawDecorations=function(a){if(this.isHover||this.isSelected){var d=2*c.PI,f=(this.a1.angleForStupidCanvasArcs(this.a2)+c.PI/2)%d;a.strokeStyle=this.isHover?"#885110":"#0060B2";a.lineWidth=1.2;a.beginPath();var g=(f+c.PI)%d,g=g%(2*c.PI);a.arc(this.a1.x,this.a1.y,7,f,g,!1);a.stroke();a.beginPath();f+=c.PI;g=(f+c.PI)%d;a.arc(this.a2.x, +this.a2.y,7,f,g,!1);a.stroke()}};this.render=function(a,g){this.specs&&(g=this.specs);var q=(g.bonds_renderAsLines_3D?1.1:1.001)*this.a1.distance3D(this.a2)/(g.bonds_useJMOLColors||g.bonds_usePYMOLColors?2:1);if(0===q)return!1;var q=[g.bonds_cylinderDiameter_3D/2,q,g.bonds_cylinderDiameter_3D/2],h=d.translate(a.modelViewMatrix,[this.a1.x,this.a1.y,this.a1.z],[]),o,k=[this.a2.x-this.a1.x,this.a2.y-this.a1.y,this.a2.z-this.a1.z];if(g.bonds_useJMOLColors||g.bonds_usePYMOLColors)f.scale(k,0.5),o=d.translate(a.modelViewMatrix, +[this.a2.x,this.a2.y,this.a2.z],[]);var v=[0],x;if(g.bonds_showBondOrders_3D){switch(this.bondOrder){case 2:v=[-g.bonds_cylinderDiameter_3D,g.bonds_cylinderDiameter_3D];break;case 3:v=[-1.2*g.bonds_cylinderDiameter_3D,0,1.2*g.bonds_cylinderDiameter_3D]}if(1<v.length){x=[0,0,1];var t=d.inverse(a.rotationMatrix,[]);d.multiplyVec3(t,x);x=f.cross(k,x,[]);f.normalize(x)}}var y=[0,1,0],t=0;this.a1.x===this.a2.x&&this.a1.z===this.a2.z?(k=[0,0,1],this.a2.y<this.a1.y&&(t=c.PI)):(t=e.vec3AngleFrom(y,k),k=f.cross(y, +k,[]));for(var y=0,w=v.length;y<w;y++){var u=d.set(h,[]);0!==v[y]&&d.translate(u,f.scale(x,v[y],[]));0!==t&&d.rotate(u,t,k);d.scale(u,q);var p=g.bonds_color;g.bonds_useJMOLColors?p=b[this.a1.label].jmolColor:g.bonds_usePYMOLColors&&(p=b[this.a1.label].pymolColor);a.material.setDiffuseColor(p);a.setMatrixUniforms(u);g.bonds_renderAsLines_3D?a.drawArrays(a.LINES,0,a.lineBuffer.vertexPositionBuffer.numItems):a.drawArrays(a.TRIANGLE_STRIP,0,a.cylinderBuffer.vertexPositionBuffer.numItems);if(g.bonds_useJMOLColors|| +g.bonds_usePYMOLColors)d.set(o,u),0!==v[y]&&d.translate(u,f.scale(x,v[y],[])),d.rotate(u,t+c.PI,k),d.scale(u,q),a.material.setDiffuseColor(g.bonds_usePYMOLColors?b[this.a2.label].pymolColor:b[this.a2.label].jmolColor),a.setMatrixUniforms(u),g.bonds_renderAsLines_3D?a.drawArrays(a.LINES,0,a.lineBuffer.vertexPositionBuffer.numItems):a.drawArrays(a.TRIANGLE_STRIP,0,a.cylinderBuffer.vertexPositionBuffer.numItems)}};return!0};a.Bond.STEREO_NONE="none";a.Bond.STEREO_PROTRUDING="protruding";a.Bond.STEREO_RECESSED= +"recessed";a.Bond.STEREO_AMBIGUOUS="ambiguous"})(ChemDoodle.ELEMENT,ChemDoodle.extensions,ChemDoodle.structures,ChemDoodle.math,Math,mat4,vec3); +(function(b,e){b.Ring=function(){this.atoms=[];this.bonds=[];this.center=void 0;this.setupBonds=function(){for(var a=0,b=this.bonds.length;a<b;a++)this.bonds[a].ring=this;this.center=this.getCenter()};this.getCenter=function(){for(var a=Infinity,h=Infinity,c=-Infinity,d=-Infinity,f=0,q=this.atoms.length;f<q;f++)a=e.min(this.atoms[f].x,a),h=e.min(this.atoms[f].y,h),c=e.max(this.atoms[f].x,c),d=e.max(this.atoms[f].y,d);return new b.Point((c+a)/2,(d+h)/2)};return!0}})(ChemDoodle.structures,Math); +(function(b,e,a,h,c){a.Molecule=function(){this.atoms=[];this.bonds=[];this.rings=[];this.findRings=!0;this.draw=function(a,f){this.specs&&(f=this.specs);if(f.atoms_display&&!f.atoms_circles_2D)for(var c=0,g=this.atoms.length;c<g;c++)this.atoms[c].draw(a,f);if(f.bonds_display){c=0;for(g=this.bonds.length;c<g;c++)this.bonds[c].draw(a,f)}if(f.atoms_display&&f.atoms_circles_2D){c=0;for(g=this.atoms.length;c<g;c++)this.atoms[c].draw(a,f)}};this.render=function(d,f){this.specs&&(f=this.specs);var c=0< +this.atoms.length&&void 0!==this.atoms[0].hetatm;if(c){if(f.macro_displayBonds){0<this.bonds.length&&(f.bonds_renderAsLines_3D&&!this.residueSpecs||this.residueSpecs&&this.residueSpecs.bonds_renderAsLines_3D?(d.lineWidth(this.residueSpecs?this.residueSpecs.bonds_width_2D:f.bonds_width_2D),d.lineBuffer.bindBuffers(d)):d.cylinderBuffer.bindBuffers(d),d.material.setTempColors(f.bonds_materialAmbientColor_3D,void 0,f.bonds_materialSpecularColor_3D,f.bonds_materialShininess_3D));for(var g=0,b=this.bonds.length;g< +b;g++){var e=this.bonds[g];if(!e.a1.hetatm&&(-1===f.macro_atomToLigandDistance||void 0!==e.a1.closestDistance&&f.macro_atomToLigandDistance>=e.a1.closestDistance&&f.macro_atomToLigandDistance>=e.a2.closestDistance))e.render(d,this.residueSpecs?this.residueSpecs:f)}}if(f.macro_displayAtoms){0<this.atoms.length&&(d.sphereBuffer.bindBuffers(d),d.material.setTempColors(f.atoms_materialAmbientColor_3D,void 0,f.atoms_materialSpecularColor_3D,f.atoms_materialShininess_3D));g=0;for(b=this.atoms.length;g< +b;g++){var j=this.atoms[g];if(!j.hetatm&&(-1===f.macro_atomToLigandDistance||void 0!==j.closestDistance&&f.macro_atomToLigandDistance>=j.closestDistance))j.render(d,this.residueSpecs?this.residueSpecs:f)}}}if(f.bonds_display){0<this.bonds.length&&(f.bonds_renderAsLines_3D?(d.lineWidth(f.bonds_width_2D),d.lineBuffer.bindBuffers(d)):d.cylinderBuffer.bindBuffers(d),d.material.setTempColors(f.bonds_materialAmbientColor_3D,void 0,f.bonds_materialSpecularColor_3D,f.bonds_materialShininess_3D));g=0;for(b= +this.bonds.length;g<b;g++)e=this.bonds[g],(!c||e.a1.hetatm)&&e.render(d,f)}if(f.atoms_display){g=0;for(b=this.atoms.length;g<b;g++)j=this.atoms[g],j.bondNumber=0,j.renderAsStar=!1;g=0;for(b=this.bonds.length;g<b;g++)e=this.bonds[g],e.a1.bondNumber++,e.a2.bondNumber++;0<this.atoms.length&&(d.sphereBuffer.bindBuffers(d),d.material.setTempColors(f.atoms_materialAmbientColor_3D,void 0,f.atoms_materialSpecularColor_3D,f.atoms_materialShininess_3D));e=[];g=0;for(b=this.atoms.length;g<b;g++)if(j=this.atoms[g], +!c||j.hetatm&&(f.macro_showWater||!j.isWater))f.atoms_nonBondedAsStars_3D&&0===j.bondNumber?(j.renderAsStar=!0,e.push(j)):j.render(d,f);if(0<e.length){d.starBuffer.bindBuffers(d);g=0;for(b=e.length;g<b;g++)e[g].render(d,f)}}if(this.chains){d.setMatrixUniforms(d.modelViewMatrix);if(f.proteins_displayRibbon){d.material.setTempColors(f.proteins_materialAmbientColor_3D,void 0,f.proteins_materialSpecularColor_3D,f.proteins_materialShininess_3D);c=0;for(j=this.ribbons.length;c<j;c++)if(f.proteins_useShapelyColors|| +f.proteins_useAminoColors||f.proteins_usePolarityColors){e=f.proteins_ribbonCartoonize?this.cartoons[c]:this.ribbons[c];e.front.bindBuffers(d);g=0;for(b=e.front.segments.length;g<b;g++)e.front.segments[g].render(d,f);e.back.bindBuffers(d);g=0;for(b=e.back.segments.length;g<b;g++)e.back.segments[g].render(d,f)}else if(f.proteins_ribbonCartoonize){e=this.cartoons[c];e.front.bindBuffers(d);g=0;for(b=e.front.cartoonSegments.length;g<b;g++)e.front.cartoonSegments[g].render(d,f);e.back.bindBuffers(d);g= +0;for(b=e.back.cartoonSegments.length;g<b;g++)e.back.cartoonSegments[g].render(d,f)}else e=this.ribbons[c],e.front.render(d,f),e.back.render(d,f)}if(f.proteins_displayBackbone){if(!this.alphaCarbonTrace){this.alphaCarbonTrace={nodes:[],edges:[]};c=0;for(j=this.chains.length;c<j;c++){var l=this.chains[c];if(!(2<l.length&&h[l[2].name]&&"#BEA06E"===h[l[2].name].aminoColor)&&0<l.length){g=1;for(b=l.length-2;g<b;g++)e=l[g].cp1,e.chainColor=l.chainColor,this.alphaCarbonTrace.nodes.push(e),e=new a.Bond(l[g].cp1, +l[g+1].cp1),e.residueName=l[g].name,e.chainColor=l.chainColor,this.alphaCarbonTrace.edges.push(e),g===l.length-3&&(e=l[g+1].cp1,e.chainColor=l.chainColor,this.alphaCarbonTrace.nodes.push(e))}}}if(0<this.alphaCarbonTrace.nodes.length){c=new a.VisualSpecifications;c.atoms_display=!0;c.bonds_display=!0;c.atoms_sphereDiameter_3D=f.proteins_backboneThickness;c.bonds_cylinderDiameter_3D=f.proteins_backboneThickness;c.bonds_useJMOLColors=!1;c.atoms_color=f.proteins_backboneColor;c.bonds_color=f.proteins_backboneColor; +c.atoms_useVDWDiameters_3D=!1;d.material.setTempColors(f.proteins_materialAmbientColor_3D,void 0,f.proteins_materialSpecularColor_3D,f.proteins_materialShininess_3D);d.material.setDiffuseColor(f.proteins_backboneColor);g=0;for(b=this.alphaCarbonTrace.nodes.length;g<b;g++)e=this.alphaCarbonTrace.nodes[g],f.macro_colorByChain&&(c.atoms_color=e.chainColor),d.sphereBuffer.bindBuffers(d),e.render(d,c);g=0;for(b=this.alphaCarbonTrace.edges.length;g<b;g++){var j=this.alphaCarbonTrace.edges[g],n,e=h[j.residueName]? +h[j.residueName]:h["*"];f.macro_colorByChain?n=j.chainColor:f.proteins_useShapelyColors?n=e.shapelyColor:f.proteins_useAminoColors?n=e.aminoColor:f.proteins_usePolarityColors&&(n=e.polar?"#C10000":"#FFFFFF");n&&(c.bonds_color=n);d.cylinderBuffer.bindBuffers(d);j.render(d,c)}}}if(f.nucleics_display){d.material.setTempColors(f.nucleics_materialAmbientColor_3D,void 0,f.nucleics_materialSpecularColor_3D,f.nucleics_materialShininess_3D);c=0;for(j=this.tubes.length;c<j;c++)d.setMatrixUniforms(d.modelViewMatrix), +e=this.tubes[c],e.render(d,f)}}f.crystals_displayUnitCell&&this.unitCell&&(d.setMatrixUniforms(d.modelViewMatrix),this.unitCell.bindBuffers(d),d.material.setDiffuseColor(f.crystals_unitCellColor),d.lineWidth(f.crystals_unitCellLineWidth),d.drawElements(d.LINES,this.unitCell.vertexIndexBuffer.numItems,d.UNSIGNED_SHORT,0));this.surface&&f.surfaces_display&&(d.setMatrixUniforms(d.modelViewMatrix),this.surface.bindBuffers(d),d.material.setTempColors(f.surfaces_materialAmbientColor_3D,f.surfaces_color, +f.surfaces_materialSpecularColor_3D,f.surfaces_materialShininess_3D),"Dot"===f.surfaces_style?d.drawArrays(d.POINTS,0,this.surface.vertexPositionBuffer.numItems):d.drawElements(d.TRIANGLES,this.surface.vertexIndexBuffer.numItems,d.UNSIGNED_SHORT,0))};this.getCenter3D=function(){if(1===this.atoms.length)return new a.Atom("C",this.atoms[0].x,this.atoms[0].y,this.atoms[0].z);var d=Infinity,f=Infinity,b=Infinity,g=-Infinity,e=-Infinity,h=-Infinity;if(this.chains)for(var j=0,l=this.chains.length;j<l;j++)for(var n= +this.chains[j],r=0,k=n.length;r<k;r++)var v=n[r],d=c.min(v.cp1.x,d),f=c.min(v.cp1.y,f),b=c.min(v.cp1.z,b),g=c.max(v.cp1.x,g),e=c.max(v.cp1.y,e),h=c.max(v.cp1.z,h),d=c.min(v.cp2.x,d),f=c.min(v.cp2.y,f),b=c.min(v.cp2.z,b),g=c.max(v.cp2.x,g),e=c.max(v.cp2.y,e),h=c.max(v.cp2.z,h);j=0;for(l=this.atoms.length;j<l;j++)d=c.min(this.atoms[j].x,d),f=c.min(this.atoms[j].y,f),b=c.min(this.atoms[j].z,b),g=c.max(this.atoms[j].x,g),e=c.max(this.atoms[j].y,e),h=c.max(this.atoms[j].z,h);return new a.Atom("C",(g+d)/ +2,(e+f)/2,(h+b)/2)};this.getCenter=function(){if(1===this.atoms.length)return new a.Point(this.atoms[0].x,this.atoms[0].y);for(var d=Infinity,f=Infinity,b=-Infinity,g=-Infinity,e=0,h=this.atoms.length;e<h;e++)d=c.min(this.atoms[e].x,d),f=c.min(this.atoms[e].y,f),b=c.max(this.atoms[e].x,b),g=c.max(this.atoms[e].y,g);return new a.Point((b+d)/2,(g+f)/2)};this.getDimension=function(){if(1===this.atoms.length)return new a.Point(0,0);var d=Infinity,f=Infinity,b=-Infinity,g=-Infinity;if(this.chains){for(var e= +0,h=this.chains.length;e<h;e++)for(var j=this.chains[e],l=0,n=j.length;l<n;l++)var r=j[l],d=c.min(r.cp1.x,d),f=c.min(r.cp1.y,f),b=c.max(r.cp1.x,b),g=c.max(r.cp1.y,g),d=c.min(r.cp2.x,d),f=c.min(r.cp2.y,f),b=c.max(r.cp2.x,b),g=c.max(r.cp2.y,g);d-=30;f-=30;b+=30;g+=30}e=0;for(h=this.atoms.length;e<h;e++)d=c.min(this.atoms[e].x,d),f=c.min(this.atoms[e].y,f),b=c.max(this.atoms[e].x,b),g=c.max(this.atoms[e].y,g);return new a.Point(b-d,g-f)};this.check=function(a){if(a&&this.doChecks){if(this.findRings)if(this.bonds.length- +this.atoms.length!==this.fjNumCache){this.rings=(new b.informatics.SSSRFinder(this)).rings;for(var f=0,c=this.bonds.length;f<c;f++)this.bonds[f].ring=void 0;f=0;for(c=this.rings.length;f<c;f++)this.rings[f].setupBonds()}else{f=0;for(c=this.rings.length;f<c;f++){var g=this.rings[f];g.center=g.getCenter()}}if(this.atoms.length!==this.atomNumCache&&this.bonds.length!==this.bondNumCache){f=0;for(c=this.atoms.length;f<c;f++)if(this.atoms[f].isLone=!1,"C"===this.atoms[f].label){for(var e=g=0,h=this.bonds.length;e< +h;e++)(this.bonds[e].a1===this.atoms[f]||this.bonds[e].a2===this.atoms[f])&&g++;0===g&&(this.atoms[f].isLone=!0)}}g=!1;f=0;for(c=this.atoms.length;f<c;f++)0!==this.atoms[f].z&&(g=!0);g&&(this.sortAtomsByZ(),this.sortBondsByZ());this.setupMetaData();this.atomNumCache=this.atoms.length;this.bondNumCache=this.bonds.length;this.fjNumCache=this.bonds.length-this.atoms.length}this.doChecks=!a};this.getAngles=function(a){for(var f=[],c=0,g=this.bonds.length;c<g;c++)this.bonds[c].contains(a)&&f.push(a.angle(this.bonds[c].getNeighbor(a))); +f.sort();return f};this.getCoordinationNumber=function(a){for(var f=0,c=0,g=a.length;c<g;c++)f+=a[c].bondOrder;return f};this.getBonds=function(a){for(var f=[],c=0,g=this.bonds.length;c<g;c++)this.bonds[c].contains(a)&&f.push(this.bonds[c]);return f};this.sortAtomsByZ=function(){for(var a=1,f=this.atoms.length;a<f;a++)for(var c=a;0<c&&this.atoms[c].z<this.atoms[c-1].z;){var g=this.atoms[c];this.atoms[c]=this.atoms[c-1];this.atoms[c-1]=g;c--}};this.sortBondsByZ=function(){for(var a=1,c=this.bonds.length;a< +c;a++)for(var b=a;0<b&&this.bonds[b].a1.z+this.bonds[b].a2.z<this.bonds[b-1].a1.z+this.bonds[b-1].a2.z;){var g=this.bonds[b];this.bonds[b]=this.bonds[b-1];this.bonds[b-1]=g;b--}};this.setupMetaData=function(){for(var a=this.getCenter(),f=0,e=this.atoms.length;f<e;f++){var g=this.atoms[f],h=this.getBonds(g),m=this.getAngles(g);g.isHidden=2===h.length&&c.abs(c.abs(m[1]-m[0])-c.PI)<c.PI/30&&h[0].bondOrder===h[1].bondOrder;m=b.math.angleBetweenLargest(m);g.angleOfLeastInterference=m.angle%(2*c.PI);g.largestAngle= +m.largest;g.coordinationNumber=this.getCoordinationNumber(h);g.bondNumber=h.length;g.molCenter=a}f=0;for(e=this.bonds.length;f<e;f++)this.bonds[f].molCenter=a};this.scaleToAverageBondLength=function(a){var c=this.getAverageBondLength();if(0!==c)for(var a=a/c,c=0,b=this.atoms.length;c<b;c++)this.atoms[c].x*=a,this.atoms[c].y*=a};this.getAverageBondLength=function(){if(0===this.bonds.length)return 0;for(var a=0,c=0,b=this.bonds.length;c<b;c++)a+=this.bonds[c].getLength();return a/=this.bonds.length}; +this.getBounds=function(){for(var a=new e.Bounds,c=0,b=this.atoms.length;c<b;c++)a.expand(this.atoms[c].getBounds());if(this.chains){c=0;for(b=this.chains.length;c<b;c++)for(var g=this.chains[c],h=0,m=g.length;h<m;h++){var j=g[h];a.expand(j.cp1.x,j.cp1.y);a.expand(j.cp2.x,j.cp2.y)}a.minX-=30;a.minY-=30;a.maxX+=30;a.maxY+=30}return a};return!0}})(ChemDoodle,ChemDoodle.math,ChemDoodle.structures,ChemDoodle.RESIDUE,Math); +(function(b,e,a,h){var c,d=-1;b.Residue=function(f){this.resSeq=f;this.setup=function(a,d){this.horizontalResolution=d;var c=[a.x-this.cp1.x,a.y-this.cp1.y,a.z-this.cp1.z],f=h.cross(c,[this.cp2.x-this.cp1.x,this.cp2.y-this.cp1.y,this.cp2.z-this.cp1.z],[]);this.D=h.cross(f,c,[]);h.normalize(f);h.normalize(this.D);this.guidePointsSmall=[];this.guidePointsLarge=[];c=[(a.x+this.cp1.x)/2,(a.y+this.cp1.y)/2,(a.z+this.cp1.z)/2];this.helix&&(h.scale(f,1.5),h.add(c,f));this.guidePointsSmall[0]=new b.Atom("", +c[0]-this.D[0]/2,c[1]-this.D[1]/2,c[2]-this.D[2]/2);for(f=1;f<d;f++)this.guidePointsSmall[f]=new b.Atom("",this.guidePointsSmall[0].x+this.D[0]*f/d,this.guidePointsSmall[0].y+this.D[1]*f/d,this.guidePointsSmall[0].z+this.D[2]*f/d);h.scale(this.D,4);this.guidePointsLarge[0]=new b.Atom("",c[0]-this.D[0]/2,c[1]-this.D[1]/2,c[2]-this.D[2]/2);for(f=1;f<d;f++)this.guidePointsLarge[f]=new b.Atom("",this.guidePointsLarge[0].x+this.D[0]*f/d,this.guidePointsLarge[0].y+this.D[1]*f/d,this.guidePointsLarge[0].z+ +this.D[2]*f/d)};this.getGuidePointSet=function(a){if(0===a)return this.helix||this.sheet?this.guidePointsLarge:this.guidePointsSmall;if(1===a)return this.guidePointsSmall;if(2===a)return this.guidePointsLarge};this.computeLineSegments=function(f,g,b,e,h){if(h!==d){var l=h*h,n=h*h*h;c=a.multiply([-1/6,0.5,-0.5,1/6,0.5,-1,0.5,0,-0.5,0,0.5,0,1/6,2/3,1/6,0],[6/n,0,0,0,6/n,2/l,0,0,1/n,1/l,1/h,0,0,0,0,1],[]);d=h}this.split=g.helix!==this.helix||g.sheet!==this.sheet;this.lineSegments=this.innerCompute(0, +f,g,b,!1,h);e&&(this.lineSegmentsCartoon=this.innerCompute(g.helix||g.sheet?2:1,f,g,b,!0,h))};this.innerCompute=function(d,f,o,m,j,l){for(var n=[],r=this.getGuidePointSet(d),f=f.getGuidePointSet(d),o=o.getGuidePointSet(d),k=m.getGuidePointSet(d),v=0,x=this.guidePointsLarge.length;v<x;v++){for(var t=a.multiply([f[v].x,f[v].y,f[v].z,1,r[v].x,r[v].y,r[v].z,1,o[v].x,o[v].y,o[v].z,1,k[v].x,k[v].y,k[v].z,1],c,[]),y=[],w=0;w<l;w++){for(d=3;0<d;d--)for(m=0;4>m;m++)t[4*d+m]+=t[4*(d-1)+m];y[w]=new b.Atom("", +t[12]/t[15],t[13]/t[15],t[14]/t[15])}n[v]=y}if(j&&this.arrow)for(d=0;d<l;d++){j=1.5-1.3*d/l;r=e.floor(this.horizontalResolution/2);f=n[r];m=0;for(o=n.length;m<o;m++)m!==r&&(k=f[d],v=n[m][d],x=[v.x-k.x,v.y-k.y,v.z-k.z],h.scale(x,j),v.x=k.x+x[0],v.y=k.y+x[1],v.z=k.z+x[2])}return n}}})(ChemDoodle.structures,Math,mat4,vec3); +(function(b,e,a,h,c){e.Spectrum=function(){this.data=[];this.metadata=[];this.dataDisplay=[];this.yUnit=this.xUnit=this.title=void 0;this.continuous=!0;this.integrationSensitivity=0.01;this.memory={offsetTop:0,offsetLeft:0,offsetBottom:0,flipXAxis:!1,scale:1,width:0,height:0};this.draw=function(a,f,e,g){this.specs&&(f=this.specs);var o=5,m=0,j=0;a.fillStyle=f.text_color;a.textAlign="center";a.textBaseline="alphabetic";a.font=f.getFontString(f.text_font_size,f.text_font_families);this.xUnit&&(j+=f.text_font_size, +a.fillText(this.xUnit,e/2,g-2));this.yUnit&&f.plots_showYAxis&&(m+=f.text_font_size,a.save(),a.translate(f.text_font_size,g/2),a.rotate(-c.PI/2),a.fillText(this.yUnit,0,0),a.restore());this.title&&(o+=f.text_font_size,a.fillText(this.title,e/2,f.text_font_size));j+=5+f.text_font_size;f.plots_showYAxis&&(m+=5+a.measureText("1000").width);f.plots_showGrid&&(a.strokeStyle=f.plots_gridColor,a.lineWidth=f.plots_gridLineWidth,a.strokeRect(m,o,e-m,g-j-o));a.textAlign="center";a.textBaseline="top";for(var l= +this.maxX-this.minX,n=l/100,r=0.001;r<n||25<l/r;)r*=10;for(var k=0,v=f.plots_flipXAxis?e:0,l=c.round(this.minX/r)*r;l<=this.maxX;l+=r/2){var x=this.getTransformedX(l,f,e,m);if(x>m)if(a.strokeStyle="black",a.lineWidth=1,0===k%2){a.beginPath();a.moveTo(x,g-j);a.lineTo(x,g-j+2);a.stroke();for(n=l.toFixed(5);"0"===n.charAt(n.length-1);)n=n.substring(0,n.length-1);"."===n.charAt(n.length-1)&&(n=n.substring(0,n.length-1));var t=a.measureText(n).width;f.plots_flipXAxis&&(t*=-1);var y=x-t/2;if(f.plots_flipXAxis? +y<v:y>v)a.fillText(n,x,g-j+2),v=x+t/2;f.plots_showGrid&&(a.strokeStyle=f.plots_gridColor,a.lineWidth=f.plots_gridLineWidth,a.beginPath(),a.moveTo(x,g-j),a.lineTo(x,o),a.stroke())}else a.beginPath(),a.moveTo(x,g-j),a.lineTo(x,g-j+2),a.stroke();k++}if(f.plots_showYAxis||f.plots_showGrid){r=1/f.scale;a.textAlign="right";a.textBaseline="middle";for(l=0;10>=l;l++)if(n=r/10*l,k=o+(g-j-o)*(1-n*f.scale),f.plots_showGrid&&(a.strokeStyle=f.plots_gridColor,a.lineWidth=f.plots_gridLineWidth,a.beginPath(),a.moveTo(m, +k),a.lineTo(e,k),a.stroke()),f.plots_showYAxis){a.strokeStyle="black";a.lineWidth=1;a.beginPath();a.moveTo(m,k);a.lineTo(m-3,k);a.stroke();n*=100;v=c.max(0,3-c.floor(n).toString().length);n=n.toFixed(v);if(0<v)for(;"0"===n.charAt(n.length-1);)n=n.substring(0,n.length-1);"."===n.charAt(n.length-1)&&(n=n.substring(0,n.length-1));a.fillText(n,m-3,k)}}a.strokeStyle="black";a.lineWidth=1;a.beginPath();a.moveTo(e,g-j);a.lineTo(m,g-j);f.plots_showYAxis&&a.lineTo(m,o);a.stroke();if(0<this.dataDisplay.length){a.textAlign= +"left";a.textBaseline="top";l=n=0;for(r=this.dataDisplay.length;l<r;l++)if(this.dataDisplay[l].value)a.fillText([this.dataDisplay[l].display,": ",this.dataDisplay[l].value].join(""),m+10,o+10+n*(f.text_font_size+5)),n++;else if(this.dataDisplay[l].tag){k=0;for(v=this.metadata.length;k<v;k++)if(b.stringStartsWith(this.metadata[k],this.dataDisplay[l].tag)){v=this.metadata[k];this.dataDisplay[l].display&&(v=h.inArray("=",this.metadata[k]),v=[this.dataDisplay[l].display,": ",-1<v?this.metadata[k].substring(v+ +2):this.metadata[k]].join(""));a.fillText(v,m+10,o+10+n*(f.text_font_size+5));n++;break}}}this.drawPlot(a,f,e,g,o,m,j);this.memory.offsetTop=o;this.memory.offsetLeft=m;this.memory.offsetBottom=j;this.memory.flipXAxis=f.plots_flipXAxis;this.memory.scale=f.scale;this.memory.width=e;this.memory.height=g};this.drawPlot=function(a,f,b,g,h,m,j){this.specs&&(f=this.specs);a.strokeStyle=f.plots_color;a.lineWidth=f.plots_width;var l=[];a.beginPath();if(this.continuous)for(var n=!1,r=0,k=0,v=this.data.length;k< +v;k++){var x=this.getTransformedX(this.data[k].x,f,b,m);if(x>=m&&x<b){var t=this.getTransformedY(this.data[k].y,f,g,j,h);f.plots_showIntegration&&c.abs(this.data[k].y)>this.integrationSensitivity&&l.push(new e.Point(this.data[k].x,this.data[k].y));n||(a.moveTo(x,t),n=!0);a.lineTo(x,t);r++;0===r%1E3&&(a.stroke(),a.beginPath(),a.moveTo(x,t))}else if(n)break}else{k=0;for(v=this.data.length;k<v;k++)x=this.getTransformedX(this.data[k].x,f,b,m),x>=m&&x<b&&(a.moveTo(x,g-j),a.lineTo(x,this.getTransformedY(this.data[k].y, +f,g,j,h)))}a.stroke();if(f.plots_showIntegration&&1<l.length){a.strokeStyle=f.plots_integrationColor;a.lineWidth=f.plots_integrationLineWidth;a.beginPath();k=l[1].x>l[0].x;if(this.flipXAxis&&!k||!this.flipXAxis&&k){for(k=l.length-2;0<=k;k--)l[k].y+=l[k+1].y;n=l[0].y}else{k=1;for(v=l.length;k<v;k++)l[k].y+=l[k-1].y;n=l[l.length-1].y}k=0;for(v=l.length;k<v;k++)x=this.getTransformedX(l[k].x,f,b,m),t=this.getTransformedY(l[k].y/f.scale/n,f,g,j,h),0===k?a.moveTo(x,t):a.lineTo(x,t);a.stroke()}};this.getTransformedY= +function(a,c,b,g,e){return e+(b-g-e)*(1-a*c.scale)};this.getInverseTransformedY=function(a){return 100*((1-(a-this.memory.offsetTop)/(this.memory.height-this.memory.offsetBottom-this.memory.offsetTop))/this.memory.scale)};this.getTransformedX=function(a,c,b,g){a=g+(a-this.minX)/(this.maxX-this.minX)*(b-g);c.plots_flipXAxis&&(a=b+g-a);return a};this.getInverseTransformedX=function(a){this.memory.flipXAxis&&(a=this.memory.width+this.memory.offsetLeft-a);return(a-this.memory.offsetLeft)*(this.maxX-this.minX)/ +(this.memory.width-this.memory.offsetLeft)+this.minX};this.setup=function(){for(var a=Number.MAX_VALUE,f=Number.MIN_VALUE,b=Number.MIN_VALUE,g=0,e=this.data.length;g<e;g++)a=c.min(a,this.data[g].x),f=c.max(f,this.data[g].x),b=c.max(b,this.data[g].y);this.continuous?(this.minX=a,this.maxX=f):(this.minX=a-1,this.maxX=f+1);g=0;for(e=this.data.length;g<e;g++)this.data[g].y/=b};this.zoom=function(d,f,b,g){d=this.getInverseTransformedX(d);f=this.getInverseTransformedX(f);this.minX=c.min(d,f);this.maxX= +c.max(d,f);if(g){g=Number.MIN_VALUE;f=0;for(d=this.data.length;f<d;f++)a.isBetween(this.data[f].x,this.minX,this.maxX)&&(g=c.max(g,this.data[f].y));return 1/g}};this.translate=function(a,c){var b=a/(c-this.memory.offsetLeft)*(this.maxX-this.minX)*(this.memory.flipXAxis?1:-1);this.minX+=b;this.maxX+=b};this.alertMetadata=function(){alert(this.metadata.join("\n"))};this.getInternalCoordinates=function(a,c){return new ChemDoodle.structures.Point(this.getInverseTransformedX(a),this.getInverseTransformedY(c))}; +this.getClosestPlotInternalCoordinates=function(c){var f=this.getInverseTransformedX(c-1),c=this.getInverseTransformedX(c+1);if(f>c)var b=f,f=c,c=b;for(var b=-1,g=-Infinity,e=!1,h=0,j=this.data.length;h<j;h++){var l=this.data[h];if(a.isBetween(l.x,f,c))l.y>g&&(e=!0,g=l.y,b=h);else if(e)break}if(-1!==b)return l=this.data[b],new ChemDoodle.structures.Point(l.x,100*l.y)};this.getClosestPeakInternalCoordinates=function(a){for(var f=this.getInverseTransformedX(a),a=0,b=Infinity,g=0,e=this.data.length;g< +e;g++){var h=c.abs(this.data[g].x-f);if(h<=b)b=h,a=g;else break}f=highestRight=a;b=maxRight=this.data[a].y;g=a+1;for(e=this.data.length;g<e;g++)if(this.data[g].y+0.05>maxRight)maxRight=this.data[g].y,highestRight=g;else break;for(g=a-1;0<=g;g--)if(this.data[g].y+0.05>b)b=this.data[g].y,f=g;else break;a=this.data[f-a>highestRight-a?highestRight:f];return new ChemDoodle.structures.Point(a.x,100*a.y)};return!0}})(ChemDoodle.extensions,ChemDoodle.structures,ChemDoodle.math,jQuery,Math); +(function(b,e,a){e._Shape=function(){return!0};e._Shape.prototype.drawDecorations=function(a,c){if(this.isHover)for(var b=this.getPoints(),f=0,e=b.length;f<e;f++){var g=b[f];this.drawAnchor(a,c,g,g===this.hoverPoint)}};e._Shape.prototype.getBounds=function(){for(var a=new b.Bounds,c=this.getPoints(),d=0,f=c.length;d<f;d++){var e=c[d];a.expand(e.x,e.y)}return a};e._Shape.prototype.drawAnchor=function(b,c,d,f){b.save();b.translate(d.x,d.y);b.rotate(a.PI/4);b.scale(1/c.scale,1/c.scale);b.beginPath(); +b.moveTo(-4,-4);b.lineTo(4,-4);b.lineTo(4,4);b.lineTo(-4,4);b.closePath();b.fillStyle=f?"#885110":"white";b.fill();b.beginPath();b.moveTo(-4,-2);b.lineTo(-4,-4);b.lineTo(-2,-4);b.moveTo(2,-4);b.lineTo(4,-4);b.lineTo(4,-2);b.moveTo(4,2);b.lineTo(4,4);b.lineTo(2,4);b.moveTo(-2,4);b.lineTo(-4,4);b.lineTo(-4,2);b.moveTo(-4,-2);b.strokeStyle="rgba(0,0,0,.2)";b.lineWidth=5;b.stroke();b.strokeStyle="blue";b.lineWidth=1;b.stroke();b.restore()}})(ChemDoodle.math,ChemDoodle.structures.d2,Math); +(function(b,e,a,h){a.Line=function(c,d){this.p1=c?c:new e.Point;this.p2=d?d:new e.Point;this.arrowType=void 0;this.draw=function(c,b){if(this.isLassoed){var g=c.createLinearGradient(this.p1.x,this.p1.y,this.p2.x,this.p2.y);g.addColorStop(0,"rgba(212, 99, 0, 0)");g.addColorStop(0.5,"rgba(212, 99, 0, 0.8)");g.addColorStop(1,"rgba(212, 99, 0, 0)");var d=2.5,e=this.p1.angle(this.p2)+h.PI/2,j=h.cos(e),e=h.sin(e),l=this.p1.x-j*d,n=this.p1.y+e*d,r=this.p1.x+j*d,k=this.p1.y-e*d,v=this.p2.x+j*d,x=this.p2.y- +e*d,t=this.p2.x-j*d,y=this.p2.y+e*d;c.fillStyle=g;c.beginPath();c.moveTo(l,n);c.lineTo(r,k);c.lineTo(v,x);c.lineTo(t,y);c.closePath();c.fill()}c.strokeStyle=b.shapes_color;c.fillStyle=b.shapes_color;c.lineWidth=b.shapes_lineWidth_2D;c.lineJoin="miter";if(this.arrowType===a.Line.ARROW_RETROSYNTHETIC){var g=2*h.sqrt(2),d=b.shapes_arrowLength_2D/g,j=this.p1.angle(this.p2),e=j+h.PI/2,g=b.shapes_arrowLength_2D/g,w=h.cos(j),u=h.sin(j),j=h.cos(e),e=h.sin(e),l=this.p1.x-j*d,n=this.p1.y+e*d,r=this.p1.x+j* +d,k=this.p1.y-e*d,v=this.p2.x+j*d-w*g,x=this.p2.y-e*d+u*g,t=this.p2.x-j*d-w*g,y=this.p2.y+e*d+u*g,p=this.p2.x+2*j*d-2*w*g,A=this.p2.y-2*e*d+2*u*g,j=this.p2.x-2*j*d-2*w*g,d=this.p2.y+2*e*d+2*u*g;c.beginPath();c.moveTo(r,k);c.lineTo(v,x);c.moveTo(p,A);c.lineTo(this.p2.x,this.p2.y);c.lineTo(j,d);c.moveTo(t,y);c.lineTo(l,n);c.stroke()}else if(this.p1.x!==this.p2.x||this.p1.y!==this.p2.y)this.arrowType===a.Line.ARROW_SYNTHETIC?(j=this.p1.angle(this.p2),e=j+h.PI/2,g=2*b.shapes_arrowLength_2D/h.sqrt(3), +w=h.cos(j),u=h.sin(j),j=h.cos(e),e=h.sin(e),c.beginPath(),c.moveTo(this.p1.x,this.p1.y),c.lineTo(this.p2.x-w*g/2,this.p2.y+u*g/2),c.stroke(),l=this.p2.x-0.8*w*g,n=this.p2.y+0.8*u*g,p=this.p2.x+j*b.shapes_arrowLength_2D/3-w*g,A=this.p2.y-e*b.shapes_arrowLength_2D/3+u*g,j=this.p2.x-j*b.shapes_arrowLength_2D/3-w*g,d=this.p2.y+e*b.shapes_arrowLength_2D/3+u*g,c.beginPath(),c.moveTo(this.p2.x,this.p2.y),c.lineTo(j,d),c.lineTo(l,n),c.lineTo(p,A),c.closePath(),c.fill()):(c.beginPath(),c.moveTo(this.p1.x, +this.p1.y),c.lineTo(this.p2.x,this.p2.y)),c.stroke()};this.getPoints=function(){return[this.p1,this.p2]};this.isOver=function(a,c){var g=b.distanceFromPointToLineInclusive(a,this.p1,this.p2);return-1!==g&&g<c};return!0};a.Line.prototype=new a._Shape;a.Line.ARROW_SYNTHETIC="synthetic";a.Line.ARROW_RETROSYNTHETIC="retrosynthetic"})(ChemDoodle.math,ChemDoodle.structures,ChemDoodle.structures.d2,Math); +(function(b,e,a,h){a.Pusher=function(a,b,f){this.o1=a;this.o2=b;this.numElectron=f?f:1;this.draw=function(a,c){if(this.o1&&this.o2){a.strokeStyle=c.shapes_color;a.fillStyle=c.shapes_color;a.lineWidth=c.shapes_lineWidth_2D;a.lineJoin="miter";var b=this.o1 instanceof e.Atom?new e.Point(this.o1.x,this.o1.y):this.o1.getCenter(),d=this.o2 instanceof e.Atom?new e.Point(this.o2.x,this.o2.y):this.o2.getCenter(),f=h.max(50,b.distance(d)),l;if(this.o1.molCenter)if(this.o1 instanceof e.Atom){var n=this.o1.molCenter.angle(b); +l=new e.Point(b.x+f*h.cos(n),b.y-f*h.sin(n))}else{var n=this.o1.a1.angle(this.o1.a2),r=n+h.PI/2,n=r+h.PI,r=new e.Point(b.x+f*h.cos(r),b.y-f*h.sin(r)),n=new e.Point(b.x+f*h.cos(n),b.y-f*h.sin(n));l=r.distance(this.o1.molCenter)>n.distance(this.o1.molCenter)?r:n}else l=b;this.o2.molCenter?this.o2 instanceof e.Atom?(n=this.o2.molCenter.angle(d),n=new e.Point(d.x+f*h.cos(n),d.y-f*h.sin(n))):(n=this.o2.a1.angle(this.o2.a2),r=n+h.PI/2,n=r+h.PI,r=new e.Point(d.x+f*h.cos(r),d.y-f*h.sin(r)),n=new e.Point(d.x+ +f*h.cos(n),d.y-f*h.sin(n)),n=r.distance(this.o2.molCenter)>n.distance(this.o2.molCenter)?r:n):n=d;for(var r=l.angle(b),k=n.angle(d),v=h.max(r,k)-h.min(r,k);v+0.001>=h.PI;)v-=h.PI;0.001>v&&(r+=h.PI/6,k+=h.PI/6,l.x=b.x+f*h.cos(r+h.PI),l.y=b.y-f*h.sin(r+h.PI),n.x=d.x+f*h.cos(k+h.PI),n.y=d.y-f*h.sin(k+h.PI));v=r+h.PI/2;f=h.cos(r);r=h.sin(r);if(c.pusher_showElectron_2D){var x=5;if(this.o1 instanceof e.Atom&&this.o1.isLabelVisible(c)||1<this.o1.bondOrder)x=8;b.x-=f*x;b.y+=r*x;2===this.numElectron?(x=Math.cos(v)* +c.atoms_lonePairSpread_2D/2,v=-Math.sin(v)*c.atoms_lonePairSpread_2D/2,a.beginPath(),a.arc(b.x+x,b.y+v,c.atoms_lonePairDiameter_2D,0,2*h.PI,!1),a.fill(),a.beginPath(),a.arc(b.x-x,b.y-v,c.atoms_lonePairDiameter_2D,0,2*h.PI,!1)):(a.beginPath(),a.arc(b.x,b.y,c.atoms_lonePairDiameter_2D,0,2*h.PI,!1));a.fill()}b.x-=5*f;b.y+=5*r;var v=k+h.PI/2,t=2*c.shapes_arrowLength_2D/h.sqrt(3),f=h.cos(k),r=h.sin(k),y=h.cos(v),w=h.sin(v);d.x-=5*f;d.y+=5*r;k=new e.Point(d.x,d.y);d.x-=0.8*f*t;d.y+=0.8*r*t;var v=k.x-0.8* +f*t,x=k.y+0.8*r*t,u=new e.Point(k.x+y*c.shapes_arrowLength_2D/3-f*t,k.y-w*c.shapes_arrowLength_2D/3+r*t),f=new e.Point(k.x-y*c.shapes_arrowLength_2D/3-f*t,k.y+w*c.shapes_arrowLength_2D/3+r*t),t=r=!0;1===this.numElectron&&(u.distance(l)>f.distance(l)?t=!1:r=!1);a.beginPath();a.moveTo(k.x,k.y);t&&a.lineTo(f.x,f.y);a.lineTo(v,x);r&&a.lineTo(u.x,u.y);a.closePath();a.fill();a.stroke();a.beginPath();a.moveTo(b.x,b.y);a.bezierCurveTo(l.x,l.y,n.x,n.y,d.x,d.y);a.stroke()}};this.getPoints=function(){return[]}; +this.isOver=function(){return!1};return!0};a.Pusher.prototype=new a._Shape})(ChemDoodle.math,ChemDoodle.structures,ChemDoodle.structures.d2,Math); +(function(b){b._Mesh=function(){return!0};b._Mesh.prototype.storeData=function(b,a,h){this.positionData=b;this.normalData=a;this.indexData=h};b._Mesh.prototype.setupBuffers=function(b){this.vertexPositionBuffer=b.createBuffer();b.bindBuffer(b.ARRAY_BUFFER,this.vertexPositionBuffer);b.bufferData(b.ARRAY_BUFFER,new Float32Array(this.positionData),b.STATIC_DRAW);this.vertexPositionBuffer.itemSize=3;this.vertexPositionBuffer.numItems=this.positionData.length/3;this.vertexNormalBuffer=b.createBuffer(); +b.bindBuffer(b.ARRAY_BUFFER,this.vertexNormalBuffer);b.bufferData(b.ARRAY_BUFFER,new Float32Array(this.normalData),b.STATIC_DRAW);this.vertexNormalBuffer.itemSize=3;this.vertexNormalBuffer.numItems=this.normalData.length/3;this.indexData&&(this.vertexIndexBuffer=b.createBuffer(),b.bindBuffer(b.ELEMENT_ARRAY_BUFFER,this.vertexIndexBuffer),b.bufferData(b.ELEMENT_ARRAY_BUFFER,new Uint16Array(this.indexData),b.STATIC_DRAW),this.vertexIndexBuffer.itemSize=1,this.vertexIndexBuffer.numItems=this.indexData.length); +if(this.partitions)for(var a=0,h=this.partitions.length;a<h;a++){var c=this.partitions[a],d=this.generateBuffers(b,c.positionData,c.normalData,c.indexData);c.vertexPositionBuffer=d[0];c.vertexNormalBuffer=d[1];c.vertexIndexBuffer=d[2]}};b._Mesh.prototype.generateBuffers=function(b,a,h,c){var d=b.createBuffer();b.bindBuffer(b.ARRAY_BUFFER,d);b.bufferData(b.ARRAY_BUFFER,new Float32Array(a),b.STATIC_DRAW);d.itemSize=3;d.numItems=a.length/3;a=b.createBuffer();b.bindBuffer(b.ARRAY_BUFFER,a);b.bufferData(b.ARRAY_BUFFER, +new Float32Array(h),b.STATIC_DRAW);a.itemSize=3;a.numItems=h.length/3;var f;c&&(f=b.createBuffer(),b.bindBuffer(b.ELEMENT_ARRAY_BUFFER,f),b.bufferData(b.ELEMENT_ARRAY_BUFFER,new Uint16Array(c),b.STATIC_DRAW),f.itemSize=1,f.numItems=c.length);return[d,a,f]};b._Mesh.prototype.bindBuffers=function(b){this.vertexPositionBuffer||this.setupBuffers(b);b.bindBuffer(b.ARRAY_BUFFER,this.vertexPositionBuffer);b.vertexAttribPointer(b.shader.vertexPositionAttribute,this.vertexPositionBuffer.itemSize,b.FLOAT,!1, +0,0);b.bindBuffer(b.ARRAY_BUFFER,this.vertexNormalBuffer);b.vertexAttribPointer(b.shader.vertexNormalAttribute,this.vertexNormalBuffer.itemSize,b.FLOAT,!1,0,0);this.vertexIndexBuffer&&b.bindBuffer(b.ELEMENT_ARRAY_BUFFER,this.vertexIndexBuffer)}})(ChemDoodle.structures.d3,Math); +(function(b,e){b.Cylinder=function(a,b,c){for(var d=[],f=[],q=0;q<c;q++){var g=2*q*e.PI/c,o=e.cos(g),g=e.sin(g);f.push(o,0,g);d.push(a*o,0,a*g);f.push(o,0,g);d.push(a*o,b,a*g)}f.push(1,0,0);d.push(a,0,0);f.push(1,0,0);d.push(a,b,0);this.storeData(d,f);return!0};b.Cylinder.prototype=new b._Mesh})(ChemDoodle.structures.d3,Math); +(function(b,e){b.Sphere=function(a,b,c){for(var d=[],f=[],q=0;q<=b;q++)for(var g=q*e.PI/b,o=e.sin(g),m=e.cos(g),g=0;g<=c;g++){var j=2*g*e.PI/c,l=e.sin(j),j=e.cos(j)*o,n=m,l=l*o;f.push(j,n,l);d.push(a*j,a*n,a*l)}a=[];c+=1;for(q=0;q<b;q++)for(g=0;g<c;g++)o=q*c+g%c,m=o+c,a.push(o),a.push(m),a.push(o+1),g<c-1&&(a.push(m),a.push(m+1),a.push(o+1));this.storeData(d,f,a);return!0};b.Sphere.prototype=new b._Mesh})(ChemDoodle.structures.d3,Math); +(function(b,e,a,h){function c(a,c,g,e){this.name=c;this.entire=a;this.pi=e;this.getColor=function(c){return c.macro_colorByChain?this.chainColor:this.name?this.getResidueColor(b[this.name]?this.name:"*",c):this.helix?a.front?c.proteins_ribbonCartoonHelixPrimaryColor:c.proteins_ribbonCartoonHelixSecondaryColor:this.sheet?c.proteins_ribbonCartoonSheetColor:a.front?c.proteins_primaryColor:c.proteins_secondaryColor};this.getResidueColor=function(a,c){var d=b[a];return c.proteins_useShapelyColors?d.shapelyColor: +c.proteins_useAminoColors?d.aminoColor:c.proteins_usePolarityColors&&d.polar?"#C10000":"#FFFFFF"};this.render=function(a,c){this.entire.partitions&&this.pi!==this.entire.partitions.lastRender&&(d(a,this.entire.partitions[this.pi]),this.entire.partitions.lastRender=this.pi);this.vertexIndexBuffer||(this.vertexIndexBuffer=a.createBuffer(),a.bindBuffer(a.ELEMENT_ARRAY_BUFFER,this.vertexIndexBuffer),a.bufferData(a.ELEMENT_ARRAY_BUFFER,new Uint16Array(g),a.STATIC_DRAW),this.vertexIndexBuffer.itemSize= +1,this.vertexIndexBuffer.numItems=g.length);a.bindBuffer(a.ELEMENT_ARRAY_BUFFER,this.vertexIndexBuffer);a.material.setDiffuseColor(this.getColor(c));a.drawElements(a.TRIANGLES,this.vertexIndexBuffer.numItems,a.UNSIGNED_SHORT,0)}}var d=function(a,c){a.bindBuffer(a.ARRAY_BUFFER,c.vertexPositionBuffer);a.vertexAttribPointer(a.shader.vertexPositionAttribute,c.vertexPositionBuffer.itemSize,a.FLOAT,!1,0,0);a.bindBuffer(a.ARRAY_BUFFER,c.vertexNormalBuffer);a.vertexAttribPointer(a.shader.vertexNormalAttribute, +c.vertexNormalBuffer.itemSize,a.FLOAT,!1,0,0);a.bindBuffer(a.ELEMENT_ARRAY_BUFFER,c.vertexIndexBuffer)};e.Ribbon=function(b,e,g){var o=b[0].lineSegments.length,m=b[0].lineSegments[0].length;this.partitions=[];this.partitions.lastRender=0;var j;this.front=0<e;for(var l=0,n=b.length-1;l<n;l++){if(!j||65E3<j.positionData.length)0<this.partitions.length&&l--,j={count:0,positionData:[],normalData:[],indexData:[]},this.partitions.push(j);var r=b[l];j.count++;for(var k=0;k<o;k++)for(var v=g?r.lineSegmentsCartoon[k]: +r.lineSegments[k],x=0===k,t=!1,y=0;y<m;y++){var w=v[y],u=l,p=y+1;l===b.length-2&&y===m-1?p--:y===m-1&&(u++,p=0);var p=g?b[u].lineSegmentsCartoon[k][p]:b[u].lineSegments[k][p],u=!1,A=k+1;k===o-1&&(A-=2,u=!0);var A=g?r.lineSegmentsCartoon[A][y]:r.lineSegments[A][y],p=[p.x-w.x,p.y-w.y,p.z-w.z],A=[A.x-w.x,A.y-w.y,A.z-w.z],B=h.cross(p,A,[]);0===y&&(h.normalize(p),h.scale(p,-1),j.normalData.push(p[0],p[1],p[2]),j.positionData.push(w.x,w.y,w.z));x||t?(h.normalize(A),h.scale(A,-1),j.normalData.push(A[0], +A[1],A[2]),j.positionData.push(w.x,w.y,w.z),x&&y===m-1&&(x=!1,y=-1)):(h.normalize(B),(u&&!this.front||!u&&this.front)&&h.scale(B,-1),j.normalData.push(B[0],B[1],B[2]),h.scale(B,a.abs(e)),j.positionData.push(w.x+B[0],w.y+B[1],w.z+B[2]),k===o-1&&y===m-1&&(t=!0,y=-1));if(-1===y||y===m-1)h.normalize(p),j.normalData.push(p[0],p[1],p[2]),j.positionData.push(w.x,w.y,w.z)}}o+=2;m+=2;g&&(this.cartoonSegments=[]);this.segments=[];e=0;for(r=this.partitions.length;e<r;e++){j=this.partitions[e];var D;g&&(D=[]); +l=0;for(n=j.count-1;l<n;l++){v=l;for(k=0;k<e;k++)v+=this.partitions[k].count-1;k=b[v];0<l&&g&&k.split&&(y=new c(this,void 0,D,e),k.helix&&(y.helix=!0),k.sheet&&(y.sheet=!0),this.cartoonSegments.push(y),D=[]);x=l*o*m;t=[];k=0;for(w=o-1;k<w;k++){u=x+k*m;for(y=0;y<m;y++){p=1;l===j.count-1?p=0:y===m-1&&(p=o*m-y);p=[u+y,u+m+y,u+m+y+p,u+y,u+y+p,u+m+y+p];if(y!==m-1)for(A=0;6>A;A++)t.push(p[A]);y===m-2&&l<j.count-1&&(A=o*m-y,p[2]+=A,p[4]+=A,p[5]+=A);for(A=0;6>A;A++)j.indexData.push(p[A]);if(g)for(A=0;6>A;A++)D.push(p[A])}}this.segments.push(new c(this, +b[v+1].name,t,e))}if(g){y=new c(this,void 0,D,e);v=j.count-1;for(k=0;k<e;k++)v+=this.partitions[k].count-1;k=b[v];k.helix&&(y.helix=!0);k.sheet&&(y.sheet=!0);this.cartoonSegments.push(y)}}this.storeData(this.partitions[0].positionData,this.partitions[0].normalData,this.partitions[0].indexData);1===this.partitions.length&&(this.partitions=void 0);this.render=function(a,c){this.bindBuffers(a);var b=c.macro_colorByChain?this.chainColor:void 0;b||(b=this.front?c.proteins_primaryColor:c.proteins_secondaryColor); +a.material.setDiffuseColor(b);a.drawElements(a.TRIANGLES,this.vertexIndexBuffer.numItems,a.UNSIGNED_SHORT,0);if(this.partitions)for(var b=1,f=this.partitions.length;b<f;b++){var g=this.partitions[b];d(a,g);a.drawElements(a.TRIANGLES,g.vertexIndexBuffer.numItems,a.UNSIGNED_SHORT,0)}};return!0};e.Ribbon.prototype=new e._Mesh})(ChemDoodle.RESIDUE,ChemDoodle.structures.d3,Math,vec3); +(function(b,e,a){e.Light=function(e,c,d){this.diffuseRGB=b.getRGB(e,1);this.specularRGB=b.getRGB(c,1);this.direction=d;this.lightScene=function(c){c.uniform3f(c.getUniformLocation(c.program,"u_light.diffuse_color"),this.diffuseRGB[0],this.diffuseRGB[1],this.diffuseRGB[2]);c.uniform3f(c.getUniformLocation(c.program,"u_light.specular_color"),this.specularRGB[0],this.specularRGB[1],this.specularRGB[2]);var b=a.create(this.direction);a.normalize(b);a.negate(b);c.uniform3f(c.getUniformLocation(c.program, +"u_light.direction"),b[0],b[1],b[2]);var d=[0,0,0],b=[d[0]+b[0],d[1]+b[1],d[2]+b[2]],d=a.length(b);0===d?b=[0,0,1]:a.scale(1/d);c.uniform3f(c.getUniformLocation(c.program,"u_light.half_vector"),b[0],b[1],b[2])};return!0}})(ChemDoodle.math,ChemDoodle.structures.d3,vec3);(function(b){b.Line=function(){this.storeData([0,0,0,0,1,0],[0,0,0,0,0,0]);return!0};b.Line.prototype=new b._Mesh})(ChemDoodle.structures.d3); +(function(b,e){e.Material=function(a){var e=a.getUniformLocation(a.program,"u_material.ambient_color"),c=a.getUniformLocation(a.program,"u_material.diffuse_color"),d=a.getUniformLocation(a.program,"u_material.specular_color"),f=a.getUniformLocation(a.program,"u_material.shininess"),q=a.getUniformLocation(a.program,"u_material.alpha");this.setTempColors=function(g,o,m,j){if(!this.aCache||this.aCache!==g)this.aCache=g,g=b.getRGB(g,1),a.uniform3f(e,g[0],g[1],g[2]);if(o&&(!this.dCache||this.dCache!== +o))this.dCache=o,g=b.getRGB(o,1),a.uniform3f(c,g[0],g[1],g[2]);if(!this.sCache||this.sCache!==m)this.sCache=m,g=b.getRGB(m,1),a.uniform3f(d,g[0],g[1],g[2]);if(!this.snCache||this.snCache!==j)this.snCache=j,a.uniform1f(f,j);this.alCache=1;a.uniform1f(q,1)};this.setDiffuseColor=function(d){if(!this.dCache||this.dCache!==d)this.dCache=d,d=b.getRGB(d,1),a.uniform3f(c,d[0],d[1],d[2])};this.setAlpha=function(c){if(!this.alCache||this.alCache!==c)this.alCache=c,a.uniform1f(q,c)};return!0}})(ChemDoodle.math, +ChemDoodle.structures.d3); +(function(b,e,a,h){e.MolecularSurface=function(c,d,f,e,g){function o(a,c,b,d){var f=a.index;if(a.contained)for(var f=-1,g=Infinity,e=0,h=c.length;e<h;e++)for(var j=c[e],l=0,q=j.length;l<q;l++){var o=j[l];if(!o.contained&&o.index!==b&&o.index!==d){var m=o.distance3D(a);m<g&&(f=o.index,g=m)}}return f}for(var m=[],j=[],l=[],n=[],r=0;r<=d;r++)for(var k=r*h.PI/d,v=h.sin(k),x=h.cos(k),k=0;k<=f;k++){var t=2*k*h.PI/f;n.push(h.cos(t)*v,x,h.sin(t)*v)}v=[];r=0;for(k=c.atoms.length;r<k;r++){for(var x=[],y=c.atoms[r], +w=a[y.label][g]+e,u=[],t=0,p=c.atoms.length;t<p;t++)if(t!==r){var A=c.atoms[t];A.index=t;y.distance3D(A)<w+a[A.label][g]+e&&u.push(A)}t=0;for(p=n.length;t<p;t+=3){for(var B=new b.Atom("C",y.x+w*n[t],y.y+w*n[t+1],y.z+w*n[t+2]),D=0,G=u.length;D<G;D++)if(A=u[D],B.distance3D(A)<a[A.label][g]+e){B.contained=!0;break}x.push(B)}v.push(x)}c=[];f++;for(r=0;r<d;r++)for(k=0;k<f;k++)g=r*f+k%f,e=g+f,c.push(g),c.push(e),c.push(g+1),k<f-1&&(c.push(e),c.push(e+1),c.push(g+1));r=D=0;for(k=v.length;r<k;r++){x=v[r]; +t=0;for(p=x.length;t<p;t++)B=x[t],B.contained||(B.index=D,D++,m.push(B.x,B.y,B.z),j.push(n[3*t],n[3*t+1],n[3*t+2]));t=0;for(p=c.length;t<p;t+=3)g=x[c[t]],e=x[c[t+1]],B=x[c[t+2]],!g.contained&&!e.contained&&!B.contained&&l.push(g.index,e.index,B.index)}n=[];r=0;for(k=v.length;r<k;r++){x=v[r];t=0;for(p=c.length;t<p;t+=3){g=x[c[t]];e=x[c[t+1]];B=x[c[t+2]];u=[];D=0;for(G=v.length;D<G;D++)D!==r&&u.push(v[D]);if((!g.contained||!e.contained||!B.contained)&&(g.contained||e.contained||B.contained))if(d=o(g, +u,-1,-1),f=o(e,u,d,-1),u=o(B,u,d,f),-1!==d&&-1!==f&&-1!==u){e=!1;D=0;for(G=n.length;D<G;D+=3)if(g=n[D],B=n[D+1],y=n[D+2],w=f===g||f===B||f===y,A=u===g||u===B||u===y,(d===g||d===B||d===y)&&w&&A){e=!0;break}e||n.push(d,f,u)}}}l=l.concat(n);this.storeData(m,j,l);return!0};e.MolecularSurface.prototype=new e._Mesh})(ChemDoodle.structures,ChemDoodle.structures.d3,ChemDoodle.ELEMENT,Math); +(function(b,e){b.Shader=function(){this.init=function(a){var b=this.getShader(a,"vertex-shader");b||(b=this.loadDefaultVertexShader(a));var c=this.getShader(a,"fragment-shader");c||(c=this.loadDefaultFragmentShader(a));a.attachShader(a.program,b);a.attachShader(a.program,c);a.linkProgram(a.program);a.getProgramParameter(a.program,a.LINK_STATUS)||alert("Could not initialize shaders: "+a.getProgramInfoLog(program));a.useProgram(a.program);this.vertexPositionAttribute=a.getAttribLocation(a.program,"a_vertex_position"); +a.enableVertexAttribArray(this.vertexPositionAttribute);this.vertexNormalAttribute=a.getAttribLocation(a.program,"a_vertex_normal");a.enableVertexAttribArray(this.vertexNormalAttribute)};this.getShader=function(a,b){var c=e.getElementById(b);if(c){for(var d=[],f=c.firstChild;f;)3===f.nodeType&&d.push(f.textContent),f=f.nextSibling;if("x-shader/x-fragment"===c.type)f=a.createShader(a.FRAGMENT_SHADER);else if("x-shader/x-vertex"===c.type)f=a.createShader(a.VERTEX_SHADER);else return;a.shaderSource(f, +d.join(""));a.compileShader(f);if(a.getShaderParameter(f,a.COMPILE_STATUS))return f;alert(c.type+" "+a.getShaderInfoLog(f))}};this.loadDefaultVertexShader=function(a){var b=[];b.push("struct Light");b.push("{");b.push("vec3 diffuse_color;");b.push("vec3 specular_color;");b.push("vec3 direction;");b.push("vec3 half_vector;");b.push("};");b.push("struct Material");b.push("{");b.push("vec3 ambient_color;");b.push("vec3 diffuse_color;");b.push("vec3 specular_color;");b.push("float shininess;");b.push("float alpha;"); +b.push("};");b.push("attribute vec3 a_vertex_position;");b.push("attribute vec3 a_vertex_normal;");b.push("uniform Light u_light;");b.push("uniform Material u_material;");b.push("uniform mat4 u_model_view_matrix;");b.push("uniform mat4 u_projection_matrix;");b.push("uniform mat3 u_normal_matrix;");b.push("varying vec4 v_diffuse;");b.push("varying vec4 v_ambient;");b.push("varying vec3 v_normal;");b.push("varying vec3 v_light_direction;");b.push("void main(void)");b.push("{");b.push("if(length(a_vertex_normal)==0.0){"); +b.push("v_normal = a_vertex_normal;");b.push("}else{");b.push("v_normal = normalize(u_normal_matrix * a_vertex_normal);");b.push("}");b.push("vec4 diffuse = vec4(u_light.diffuse_color, 1.0);");b.push("v_light_direction = u_light.direction;");b.push("v_ambient = vec4(u_material.ambient_color, 1.0);");b.push("v_diffuse = vec4(u_material.diffuse_color, 1.0) * diffuse;");b.push("gl_Position = u_projection_matrix * u_model_view_matrix * vec4(a_vertex_position, 1.0);");b.push("}");var c=a.createShader(a.VERTEX_SHADER); +a.shaderSource(c,b.join(""));a.compileShader(c);if(a.getShaderParameter(c,a.COMPILE_STATUS))return c;alert("Vertex shader failed to compile: "+a.getShaderInfoLog(c))};this.loadDefaultFragmentShader=function(a){var b=[];b.push("precision mediump float;\n");b.push("struct Light");b.push("{");b.push("vec3 diffuse_color;");b.push("vec3 specular_color;");b.push("vec3 direction;");b.push("vec3 half_vector;");b.push("};");b.push("struct Material");b.push("{");b.push("vec3 ambient_color;");b.push("vec3 diffuse_color;"); +b.push("vec3 specular_color;");b.push("float shininess;");b.push("float alpha;");b.push("};");b.push("uniform Light u_light;");b.push("uniform Material u_material;");b.push("varying vec4 v_diffuse;");b.push("varying vec4 v_ambient;");b.push("varying vec3 v_normal;");b.push("varying vec3 v_light_direction;");b.push("void main(void)");b.push("{");b.push("if(length(v_normal)==0.0){");b.push("gl_FragColor = vec4(v_diffuse.rgba);");b.push("}else{");b.push("float nDotL = max(dot(v_normal, v_light_direction), 0.0);"); +b.push("vec4 color = vec4(v_diffuse.rgb*nDotL, v_diffuse.a);");b.push("float nDotHV = max(dot(v_normal, u_light.half_vector), 0.0);");b.push("vec4 specular = vec4(u_material.specular_color * u_light.specular_color, 1.0);");b.push("color+=vec4(specular.rgb * pow(nDotHV, u_material.shininess), specular.a);");b.push("gl_FragColor = color+v_ambient;");b.push("gl_FragColor.a*=u_material.alpha;");b.push("}");b.push("}");var c=a.createShader(a.FRAGMENT_SHADER);a.shaderSource(c,b.join(""));a.compileShader(c); +if(a.getShaderParameter(c,a.COMPILE_STATUS))return c;alert("Fragment shader failed to compile: "+a.getShaderInfoLog(c))};return!0}})(ChemDoodle.structures.d3,document); +(function(b,e,a){e.Shape=function(e,c){for(var d=e.length,f=[],q=[],g=new b.Point,o=0,m=d;o<m;o++){var j=o+1;o===m-1&&(j=0);for(var l=e[o],j=e[j],n=a.cross([0,0,1],[j.x-l.x,j.y-l.y,0]),r=0;2>r;r++)f.push(l.x,l.y,c/2),f.push(l.x,l.y,-c/2),f.push(j.x,j.y,c/2),f.push(j.x,j.y,-c/2);for(r=0;4>r;r++)q.push(n[0],n[1],n[2]);q.push(0,0,1);q.push(0,0,-1);q.push(0,0,1);q.push(0,0,-1);g.add(l)}g.x/=d;g.y/=d;q.push(0,0,1);f.push(g.x,g.y,c/2);q.push(0,0,-1);f.push(g.x,g.y,-c/2);g=[];l=8*d;o=0;for(m=d;o<m;o++)d= +8*o,g.push(d),g.push(d+1),g.push(d+3),g.push(d),g.push(d+2),g.push(d+3),g.push(d+4),g.push(d+6),g.push(l),g.push(d+5),g.push(d+7),g.push(l+1);this.storeData(f,q,g);return!0};e.Shape.prototype=new e._Mesh})(ChemDoodle.structures,ChemDoodle.structures.d3,vec3); +(function(b,e,a){b.Star=function(){for(var b=[0.8944,0.4472,0,0.2764,0.4472,0.8506,0.2764,0.4472,-0.8506,-0.7236,0.4472,0.5257,-0.7236,0.4472,-0.5257,-0.3416,0.4472,0,-0.1056,0.4472,0.3249,-0.1056,0.4472,-0.3249,0.2764,0.4472,0.2008,0.2764,0.4472,-0.2008,-0.8944,-0.4472,0,-0.2764,-0.4472,0.8506,-0.2764,-0.4472,-0.8506,0.7236,-0.4472,0.5257,0.7236,-0.4472,-0.5257,0.3416,-0.4472,0,0.1056,-0.4472,0.3249,0.1056,-0.4472,-0.3249,-0.2764,-0.4472,0.2008,-0.2764,-0.4472,-0.2008,-0.5527,0.1058,0,-0.1708,0.1058, +0.5527,-0.1708,0.1058,-0.5527,0.4471,0.1058,0.3249,0.4471,0.1058,-0.3249,0.5527,-0.1058,0,0.1708,-0.1058,0.5527,0.1708,-0.1058,-0.5527,-0.4471,-0.1058,0.3249,-0.4471,-0.1058,-0.3249,0,1,0,0,-1,0],c=[0,9,8,2,7,9,4,5,7,3,6,5,1,8,6,0,8,23,30,6,8,3,21,6,11,26,21,13,23,26,2,9,24,30,8,9,1,23,8,13,25,23,14,24,25,4,7,22,30,9,7,0,24,9,14,27,24,12,22,27,3,5,20,30,7,5,2,22,7,12,29,22,10,20,29,1,6,21,30,5,6,4,20,5,10,28,20,11,21,28,10,19,18,12,17,19,14,15,17,13,16,15,11,18,16,31,19,17,14,17,27,2,27,22,4,22,29, +10,29,19,31,18,19,12,19,29,4,29,20,3,20,28,11,28,18,31,16,18,10,18,28,3,28,21,1,21,26,13,26,16,31,15,16,11,16,26,1,26,23,0,23,25,14,25,15,31,17,15,13,15,25,0,25,24,2,24,27,12,27,17],d=[],f=[],e=[],g=0,o=c.length;g<o;g+=3){var m=3*c[g],j=3*c[g+1],l=3*c[g+2],m=[b[m],b[m+1],b[m+2]],j=[b[j],b[j+1],b[j+2]],l=[b[l],b[l+1],b[l+2]],n=a.cross([l[0]-j[0],l[1]-j[1],l[2]-j[2]],[m[0]-j[0],m[1]-j[1],m[2]-j[2]],[]);a.normalize(n);d.push(m[0],m[1],m[2],j[0],j[1],j[2],l[0],l[1],l[2]);f.push(n[0],n[1],n[2],n[0],n[1], +n[2],n[0],n[1],n[2]);e.push(g,g+1,g+2)}this.storeData(d,f,e);return!0};b.Star.prototype=new b._Mesh})(ChemDoodle.structures.d3,Math,vec3); +(function(b,e,a,h,c,d,f){var q=function(a,b,f){var e=c.sqrt(b[1]*b[1]+b[2]*b[2]),h=[1,0,0,0,0,b[2]/e,-b[1]/e,0,0,b[1]/e,b[2]/e,0,0,0,0,1],q=[1,0,0,0,0,b[2]/e,b[1]/e,0,0,-b[1]/e,b[2]/e,0,0,0,0,1],r=[e,0,-b[0],0,0,1,0,0,b[0],0,e,0,0,0,0,1],b=[e,0,b[0],0,0,1,0,0,-b[0],0,e,0,0,0,0,1],f=[c.cos(f),-c.sin(f),0,0,c.sin(f),c.cos(f),0,0,0,0,1,0,0,0,0,1],k=d.multiply(h,d.multiply(r,d.multiply(f,d.multiply(b,q,[]))));this.rotate=function(){return d.multiplyVec3(k,a)}};h.Tube=function(g,h,m){var j=g[0].lineSegments[0].length; +this.partitions=[];var l;this.ends=[];this.ends.push(g[0].lineSegments[0][0]);this.ends.push(g[g.length-2].lineSegments[0][0]);for(var n=[1,0,0],r=0,k=g.length-1;r<k;r++){if(!l||65E3<l.positionData.length)0<this.partitions.length&&r--,l={count:0,positionData:[],normalData:[],indexData:[]},this.partitions.push(l);var v=g[r];l.count++;for(var x=Infinity,t=new a.Atom("",g[r+1].cp1.x,g[r+1].cp1.y,g[r+1].cp1.z),y=0;y<j;y++){var w=v.lineSegments[0][y],u;u=y===j-1?r===g.length-2?v.lineSegments[0][y-1]:g[r+ +1].lineSegments[0][0]:v.lineSegments[0][y+1];u=[u.x-w.x,u.y-w.y,u.z-w.z];f.normalize(u);r===g.length-2&&y===j-1&&f.scale(u,-1);var p=vec3.cross(u,n,[]);f.normalize(p);f.scale(p,h/2);p=new q(p,u,2*Math.PI/m);u=0;for(var A=m;u<A;u++){var B=p.rotate();u===c.floor(m/4)&&(n=[B[0],B[1],B[2]]);l.normalData.push(B[0],B[1],B[2]);l.positionData.push(w.x+B[0],w.y+B[1],w.z+B[2])}t&&(u=w.distance3D(t),u<x&&(x=u,g[r+1].pPoint=w))}}n=0;for(v=this.partitions.length;n<v;n++){l=this.partitions[n];r=0;for(k=l.count- +1;r<k;r++){x=r*j*m;y=0;for(t=j;y<t;y++){w=x+y*m;for(u=0;u<m;u++)p=w+u,l.indexData.push(p),l.indexData.push(p+m),l.indexData.push(p+m+1),l.indexData.push(p),l.indexData.push(p+1),l.indexData.push(p+m+1)}}}this.storeData(this.partitions[0].positionData,this.partitions[0].normalData,this.partitions[0].indexData);m=[new a.Point(2,0)];for(r=0;60>r;r++)j=r/60*c.PI,m.push(new a.Point(2*c.cos(j),-2*c.sin(j)));m.push(new a.Point(-2,0),new a.Point(-2,4),new a.Point(2,4));var D=new a.d3.Shape(m,1);this.render= +function(j,l){this.bindBuffers(j);j.material.setDiffuseColor(l.macro_colorByChain?this.chainColor:l.nucleics_tubeColor);j.drawElements(j.TRIANGLES,this.vertexIndexBuffer.numItems,j.UNSIGNED_SHORT,0);if(this.partitions)for(var q=1,m=this.partitions.length;q<m;q++){var k=this.partitions[q],n=j,v=k;n.bindBuffer(n.ARRAY_BUFFER,v.vertexPositionBuffer);n.vertexAttribPointer(n.shader.vertexPositionAttribute,v.vertexPositionBuffer.itemSize,n.FLOAT,!1,0,0);n.bindBuffer(n.ARRAY_BUFFER,v.vertexNormalBuffer); +n.vertexAttribPointer(n.shader.vertexNormalAttribute,v.vertexNormalBuffer.itemSize,n.FLOAT,!1,0,0);n.bindBuffer(n.ELEMENT_ARRAY_BUFFER,v.vertexIndexBuffer);j.drawElements(j.TRIANGLES,k.vertexIndexBuffer.numItems,j.UNSIGNED_SHORT,0)}j.sphereBuffer.bindBuffers(j);for(q=0;2>q;q++)k=this.ends[q],k=d.translate(j.modelViewMatrix,[k.x,k.y,k.z],[]),m=h/2,d.scale(k,[m,m,m]),j.setMatrixUniforms(k),j.drawElements(j.TRIANGLES,j.sphereBuffer.vertexIndexBuffer.numItems,j.UNSIGNED_SHORT,0);j.cylinderBuffer.bindBuffers(j); +q=1;for(m=g.length-1;q<m;q++){var v=g[q],r=v.pPoint,p=new a.Atom("",v.cp2.x,v.cp2.y,v.cp2.z),k=1.001*r.distance3D(p),v=[h/4,k,h/4],k=d.translate(j.modelViewMatrix,[r.x,r.y,r.z],[]),t=[0,1,0],u=0,n=[p.x-r.x,p.y-r.y,p.z-r.z];r.x===p.x&&r.z===p.z?(t=[0,0,1],r.y<r.y&&(u=c.PI)):(u=b.vec3AngleFrom(t,n),t=f.cross(t,n,[]));0!==u&&d.rotate(k,u,t);d.scale(k,v);j.setMatrixUniforms(k);j.drawArrays(j.TRIANGLE_STRIP,0,j.cylinderBuffer.vertexPositionBuffer.numItems)}D.bindBuffers(j);!l.nucleics_useShapelyColors&& +!l.macro_colorByChain&&j.material.setDiffuseColor(l.nucleics_baseColor);q=1;for(m=g.length-1;q<m;q++)v=g[q],p=v.cp2,k=d.translate(j.modelViewMatrix,[p.x,p.y,p.z],[]),t=[0,1,0],u=0,r=v.cp3,n=[r.x-p.x,r.y-p.y,r.z-p.z],p.x===r.x&&p.z===r.z?(t=[0,0,1],p.y<p.y&&(u=c.PI)):(u=b.vec3AngleFrom(t,n),t=f.cross(t,n,[])),0!==u&&d.rotate(k,u,t),p=[1,0,0],u=d.rotate(d.identity([]),u,t),d.multiplyVec3(u,p),u=v.cp4,r=v.cp5,u.y===r.y&&u.z===r.z||(u=[r.x-u.x,r.y-u.y,r.z-u.z],r=b.vec3AngleFrom(p,u),0>f.dot(n,f.cross(p, +u))&&(r*=-1),d.rotateY(k,r)),l.nucleics_useShapelyColors&&!l.macro_colorByChain&&(e[v.name]?j.material.setDiffuseColor(e[v.name].shapelyColor):j.material.setDiffuseColor(e["*"].shapelyColor)),j.setMatrixUniforms(k),j.drawElements(j.TRIANGLES,D.vertexIndexBuffer.numItems,j.UNSIGNED_SHORT,0)};return!0};h.Tube.prototype=new h._Mesh})(ChemDoodle.extensions,ChemDoodle.RESIDUE,ChemDoodle.structures,ChemDoodle.structures.d3,Math,mat4,vec3); +(function(b){b.UnitCell=function(b){var a=[],h=[],c=function(b,c,d,e){a.push(b[0],b[1],b[2]);a.push(c[0],c[1],c[2]);a.push(d[0],d[1],d[2]);a.push(e[0],e[1],e[2]);for(b=0;4>b;b++)h.push(0,0,0)};c(b.o,b.x,b.xy,b.y);c(b.o,b.y,b.yz,b.z);c(b.o,b.z,b.xz,b.x);c(b.yz,b.y,b.xy,b.xyz);c(b.xyz,b.xz,b.z,b.yz);c(b.xy,b.x,b.xz,b.xyz);b=[];for(c=0;6>c;c++){var d=4*c;b.push(d,d+1,d+1,d+2,d+2,d+3,d+3,d)}this.storeData(a,h,b);return!0};b.UnitCell.prototype=new b._Mesh})(ChemDoodle.structures.d3,vec3); +(function(b,e,a){b.Plate=function(b){this.lanes=Array(b);i=0;for(ii=b;i<ii;i++)this.lanes[i]=[];this.sort=function(){i=0;for(ii=this.lanes.length;i<ii;i++)this.lanes[i].sort(function(a,b){return a-b})};this.draw=function(b){var d=b.canvas.width,f=b.canvas.height;this.origin=9*f/10;this.front=f/10;this.laneLength=this.origin-this.front;b.strokeStyle="#000000";b.beginPath();b.moveTo(0,this.front);e.contextHashTo(b,0,this.front,d,this.front,3,3);b.closePath();b.stroke();b.beginPath();b.moveTo(0,this.origin); +b.lineTo(d,this.origin);b.closePath();b.stroke();i=0;for(ii=this.lanes.length;i<ii;i++){f=(i+1)*d/(ii+1);b.beginPath();b.moveTo(f,this.origin);b.lineTo(f,this.origin+3);b.closePath();b.stroke();s=0;for(ss=this.lanes[i].length;s<ss;s++){var h=this.origin-this.laneLength*this.lanes[i][s].rf;switch(this.lanes[i][s].type){case "compact":b.beginPath();b.arc(f,h,3,0,2*a.PI,!1);b.closePath();break;case "expanded":b.beginPath();b.arc(f,h,7,0,2*a.PI,!1);b.closePath();break;case "widened":e.contextOval(b,f- +18,h-10,36,10);break;case "cresent":b.beginPath(),b.arc(f,h,9,0,a.PI,!0),b.closePath()}switch(this.lanes[i][s].style){case "solid":b.fillStyle="#000000";b.fill();break;case "transparent":b.stroke()}}}};return!0};b.Plate.Spot=function(a,b,d){this.type=a;this.rf=b;this.style=d?d:"solid"}})(ChemDoodle.structures,ChemDoodle.extensions,Math); +(function(b,e,a){b.default_backgroundColor="#FFFFFF";b.default_scale=1;b.default_rotateAngle=0;b.default_bondLength_2D=20;b.default_angstromsPerBondLength=1.25;b.default_lightDirection_3D=[-0.1,-0.1,-1];b.default_lightDiffuseColor_3D="#FFFFFF";b.default_lightSpecularColor_3D="#FFFFFF";b.default_projectionPerspective_3D=!0;b.default_projectionPerspectiveVerticalFieldOfView_3D=45;b.default_projectionOrthoWidth_3D=40;b.default_projectionWidthHeightRatio_3D=void 0;b.default_projectionFrontCulling_3D= +0.1;b.default_projectionBackCulling_3D=1E4;b.default_atoms_display=!0;b.default_atoms_color="#000000";b.default_atoms_font_size_2D=12;b.default_atoms_font_families_2D=["Helvetica","Arial","Dialog"];b.default_atoms_font_bold_2D=!1;b.default_atoms_font_italic_2D=!1;b.default_atoms_circles_2D=!1;b.default_atoms_circleDiameter_2D=10;b.default_atoms_circleBorderWidth_2D=1;b.default_atoms_lonePairDistance_2D=8;b.default_atoms_lonePairSpread_2D=4;b.default_atoms_lonePairDiameter_2D=1;b.default_atoms_useJMOLColors= +!1;b.default_atoms_usePYMOLColors=!1;b.default_atoms_resolution_3D=60;b.default_atoms_sphereDiameter_3D=0.8;b.default_atoms_useVDWDiameters_3D=!1;b.default_atoms_vdwMultiplier_3D=1;b.default_atoms_materialAmbientColor_3D="#000000";b.default_atoms_materialSpecularColor_3D="#555555";b.default_atoms_materialShininess_3D=32;b.default_atoms_implicitHydrogens_2D=!0;b.default_atoms_displayTerminalCarbonLabels_2D=!1;b.default_atoms_showHiddenCarbons_2D=!0;b.default_atoms_displayAllCarbonLabels_2D=!1;b.default_atoms_nonBondedAsStars_3D= +!1;b.default_bonds_display=!0;b.default_bonds_color="#000000";b.default_bonds_width_2D=1;b.default_bonds_saturationWidth_2D=0.2;b.default_bonds_ends_2D="round";b.default_bonds_useJMOLColors=!1;b.default_bonds_usePYMOLColors=!1;b.default_bonds_colorGradient=!1;b.default_bonds_saturationAngle_2D=a.PI/3;b.default_bonds_symmetrical_2D=!1;b.default_bonds_clearOverlaps_2D=!1;b.default_bonds_overlapClearWidth_2D=0.5;b.default_bonds_atomLabelBuffer_2D=1;b.default_bonds_wedgeThickness_2D=0.22;b.default_bonds_hashWidth_2D= +1;b.default_bonds_hashSpacing_2D=2.5;b.default_bonds_showBondOrders_3D=!1;b.default_bonds_resolution_3D=60;b.default_bonds_renderAsLines_3D=!1;b.default_bonds_cylinderDiameter_3D=0.3;b.default_bonds_materialAmbientColor_3D="#222222";b.default_bonds_materialSpecularColor_3D="#555555";b.default_bonds_materialShininess_3D=32;b.default_proteins_displayRibbon=!0;b.default_proteins_displayBackbone=!1;b.default_proteins_backboneThickness=1.5;b.default_proteins_backboneColor="#CCCCCC";b.default_proteins_ribbonCartoonize= +!1;b.default_proteins_useShapelyColors=!1;b.default_proteins_useAminoColors=!1;b.default_proteins_usePolarityColors=!1;b.default_proteins_primaryColor="#FF0D0D";b.default_proteins_secondaryColor="#FFFF30";b.default_proteins_ribbonCartoonHelixPrimaryColor="#00E740";b.default_proteins_ribbonCartoonHelixSecondaryColor="#9905FF";b.default_proteins_ribbonCartoonSheetColor="#E8BB99";b.default_proteins_ribbonThickness=0.2;b.default_proteins_verticalResolution=10;b.default_proteins_horizontalResolution=9; +b.default_proteins_materialAmbientColor_3D="#222222";b.default_proteins_materialSpecularColor_3D="#555555";b.default_proteins_materialShininess_3D=32;b.default_nucleics_display=!0;b.default_nucleics_tubeColor="#CCCCCC";b.default_nucleics_baseColor="#C10000";b.default_nucleics_useShapelyColors=!0;b.default_nucleics_tubeThickness=1.5;b.default_nucleics_tubeResolution_3D=60;b.default_nucleics_verticalResolution=10;b.default_nucleics_materialAmbientColor_3D="#222222";b.default_nucleics_materialSpecularColor_3D= +"#555555";b.default_nucleics_materialShininess_3D=32;b.default_macro_displayAtoms=!1;b.default_macro_displayBonds=!1;b.default_macro_atomToLigandDistance=-1;b.default_macro_showWater=!1;b.default_macro_colorByChain=!1;b.default_surfaces_display=!0;b.default_surfaces_style="Dot";b.default_surfaces_color="#E9B862";b.default_surfaces_materialAmbientColor_3D="#000000";b.default_surfaces_materialSpecularColor_3D="#000000";b.default_surfaces_materialShininess_3D=32;b.default_crystals_displayUnitCell=!0; +b.default_crystals_unitCellColor="green";b.default_crystals_unitCellLineWidth=1;b.default_plots_color="#000000";b.default_plots_width=1;b.default_plots_showIntegration=!1;b.default_plots_integrationColor="#c10000";b.default_plots_integrationLineWidth=1;b.default_plots_showGrid=!1;b.default_plots_gridColor="gray";b.default_plots_gridLineWidth=0.5;b.default_plots_showYAxis=!0;b.default_plots_flipXAxis=!1;b.default_text_font_size=12;b.default_text_font_families=["Helvetica","Arial","Dialog"];b.default_text_color= +"#000000";b.default_shapes_color="#000000";b.default_shapes_lineWidth_2D=1;b.default_shapes_arrowLength_2D=8;b.default_pusher_showElectron_2D=!0;e.VisualSpecifications=function(){this.backgroundColor=b.default_backgroundColor;this.scale=b.default_scale;this.rotateAngle=b.default_rotateAngle;this.bondLength=b.default_bondLength_2D;this.angstromsPerBondLength=b.default_angstromsPerBondLength;this.lightDirection_3D=b.default_lightDirection_3D;this.lightDiffuseColor_3D=b.default_lightDiffuseColor_3D; +this.lightSpecularColor_3D=b.default_lightSpecularColor_3D;this.projectionPerspective_3D=b.default_projectionPerspective_3D;this.projectionPerspectiveVerticalFieldOfView_3D=b.default_projectionPerspectiveVerticalFieldOfView_3D;this.projectionOrthoWidth_3D=b.default_projectionOrthoWidth_3D;this.projectionWidthHeightRatio_3D=b.default_projectionWidthHeightRatio_3D;this.projectionFrontCulling_3D=b.default_projectionFrontCulling_3D;this.projectionBackCulling_3D=b.default_projectionBackCulling_3D;this.atoms_display= +b.default_atoms_display;this.atoms_color=b.default_atoms_color;this.atoms_font_size_2D=b.default_atoms_font_size_2D;this.atoms_font_families_2D=[];for(var a=0,c=b.default_atoms_font_families_2D.length;a<c;a++)this.atoms_font_families_2D[a]=b.default_atoms_font_families_2D[a];this.atoms_font_bold_2D=b.default_atoms_font_bold_2D;this.atoms_font_italic_2D=b.default_atoms_font_italic_2D;this.atoms_circles_2D=b.default_atoms_circles_2D;this.atoms_circleDiameter_2D=b.default_atoms_circleDiameter_2D;this.atoms_circleBorderWidth_2D= +b.default_atoms_circleBorderWidth_2D;this.atoms_lonePairDistance_2D=b.default_atoms_lonePairDistance_2D;this.atoms_lonePairSpread_2D=b.default_atoms_lonePairSpread_2D;this.atoms_lonePairDiameter_2D=b.default_atoms_lonePairDiameter_2D;this.atoms_useJMOLColors=b.default_atoms_useJMOLColors;this.atoms_usePYMOLColors=b.default_atoms_usePYMOLColors;this.atoms_resolution_3D=b.default_atoms_resolution_3D;this.atoms_sphereDiameter_3D=b.default_atoms_sphereDiameter_3D;this.atoms_useVDWDiameters_3D=b.default_atoms_useVDWDiameters_3D; +this.atoms_vdwMultiplier_3D=b.default_atoms_vdwMultiplier_3D;this.atoms_materialAmbientColor_3D=b.default_atoms_materialAmbientColor_3D;this.atoms_materialSpecularColor_3D=b.default_atoms_materialSpecularColor_3D;this.atoms_materialShininess_3D=b.default_atoms_materialShininess_3D;this.atoms_implicitHydrogens_2D=b.default_atoms_implicitHydrogens_2D;this.atoms_displayTerminalCarbonLabels_2D=b.default_atoms_displayTerminalCarbonLabels_2D;this.atoms_showHiddenCarbons_2D=b.default_atoms_showHiddenCarbons_2D; +this.atoms_displayAllCarbonLabels_2D=b.default_atoms_displayAllCarbonLabels_2D;this.atoms_nonBondedAsStars_3D=b.default_atoms_nonBondedAsStars_3D;this.bonds_display=b.default_bonds_display;this.bonds_color=b.default_bonds_color;this.bonds_width_2D=b.default_bonds_width_2D;this.bonds_saturationWidth_2D=b.default_bonds_saturationWidth_2D;this.bonds_ends_2D=b.default_bonds_ends_2D;this.bonds_useJMOLColors=b.default_bonds_useJMOLColors;this.bonds_usePYMOLColors=b.default_bonds_usePYMOLColors;this.bonds_colorGradient= +b.default_bonds_colorGradient;this.bonds_saturationAngle_2D=b.default_bonds_saturationAngle_2D;this.bonds_symmetrical_2D=b.default_bonds_symmetrical_2D;this.bonds_clearOverlaps_2D=b.default_bonds_clearOverlaps_2D;this.bonds_overlapClearWidth_2D=b.default_bonds_overlapClearWidth_2D;this.bonds_atomLabelBuffer_2D=b.default_bonds_atomLabelBuffer_2D;this.bonds_wedgeThickness_2D=b.default_bonds_wedgeThickness_2D;this.bonds_hashWidth_2D=b.default_bonds_hashWidth_2D;this.bonds_hashSpacing_2D=b.default_bonds_hashSpacing_2D; +this.bonds_showBondOrders_3D=b.default_bonds_showBondOrders_3D;this.bonds_resolution_3D=b.default_bonds_resolution_3D;this.bonds_renderAsLines_3D=b.default_bonds_renderAsLines_3D;this.bonds_cylinderDiameter_3D=b.default_bonds_cylinderDiameter_3D;this.bonds_materialAmbientColor_3D=b.default_bonds_materialAmbientColor_3D;this.bonds_materialSpecularColor_3D=b.default_bonds_materialSpecularColor_3D;this.bonds_materialShininess_3D=b.default_bonds_materialShininess_3D;this.proteins_displayRibbon=b.default_proteins_displayRibbon; +this.proteins_displayBackbone=b.default_proteins_displayBackbone;this.proteins_backboneThickness=b.default_proteins_backboneThickness;this.proteins_backboneColor=b.default_proteins_backboneColor;this.proteins_ribbonCartoonize=b.default_proteins_ribbonCartoonize;this.proteins_useShapelyColors=b.default_proteins_useShapelyColors;this.proteins_useAminoColors=b.default_proteins_useAminoColors;this.proteins_usePolarityColors=b.default_proteins_usePolarityColors;this.proteins_primaryColor=b.default_proteins_primaryColor; +this.proteins_secondaryColor=b.default_proteins_secondaryColor;this.proteins_ribbonCartoonHelixPrimaryColor=b.default_proteins_ribbonCartoonHelixPrimaryColor;this.proteins_ribbonCartoonHelixSecondaryColor=b.default_proteins_ribbonCartoonHelixSecondaryColor;this.proteins_ribbonCartoonSheetColor=b.default_proteins_ribbonCartoonSheetColor;this.proteins_ribbonThickness=b.default_proteins_ribbonThickness;this.proteins_verticalResolution=b.default_proteins_verticalResolution;this.proteins_horizontalResolution= +b.default_proteins_horizontalResolution;this.proteins_materialAmbientColor_3D=b.default_proteins_materialAmbientColor_3D;this.proteins_materialSpecularColor_3D=b.default_proteins_materialSpecularColor_3D;this.proteins_materialShininess_3D=b.default_proteins_materialShininess_3D;this.macro_displayAtoms=b.default_macro_displayAtoms;this.macro_displayBonds=b.default_macro_displayBonds;this.macro_atomToLigandDistance=b.default_macro_atomToLigandDistance;this.nucleics_display=b.default_nucleics_display; +this.nucleics_tubeColor=b.default_nucleics_tubeColor;this.nucleics_baseColor=b.default_nucleics_baseColor;this.nucleics_useShapelyColors=b.default_nucleics_useShapelyColors;this.nucleics_tubeThickness=b.default_nucleics_tubeThickness;this.nucleics_tubeResolution_3D=b.default_nucleics_tubeResolution_3D;this.nucleics_verticalResolution=b.default_nucleics_verticalResolution;this.nucleics_materialAmbientColor_3D=b.default_nucleics_materialAmbientColor_3D;this.nucleics_materialSpecularColor_3D=b.default_nucleics_materialSpecularColor_3D; +this.nucleics_materialShininess_3D=b.default_nucleics_materialShininess_3D;this.macro_showWater=b.default_macro_showWater;this.macro_colorByChain=b.default_macro_colorByChain;this.surfaces_display=b.default_surfaces_display;this.surfaces_style=b.default_surfaces_style;this.surfaces_color=b.default_surfaces_color;this.surfaces_materialAmbientColor_3D=b.default_surfaces_materialAmbientColor_3D;this.surfaces_materialSpecularColor_3D=b.default_surfaces_materialSpecularColor_3D;this.surfaces_materialShininess_3D= +b.default_surfaces_materialShininess_3D;this.crystals_displayUnitCell=b.default_crystals_displayUnitCell;this.crystals_unitCellColor=b.default_crystals_unitCellColor;this.crystals_unitCellLineWidth=b.default_crystals_unitCellLineWidth;this.plots_color=b.default_plots_color;this.plots_width=b.default_plots_width;this.plots_showIntegration=b.default_plots_showIntegration;this.plots_integrationColor=b.default_plots_integrationColor;this.plots_integrationLineWidth=b.default_plots_integrationLineWidth; +this.plots_showGrid=b.default_plots_showGrid;this.plots_gridColor=b.default_plots_gridColor;this.plots_gridLineWidth=b.default_plots_gridLineWidth;this.plots_showYAxis=b.default_plots_showYAxis;this.plots_flipXAxis=b.default_plots_flipXAxis;this.text_font_size=b.default_text_font_size;this.text_font_families=[];a=0;for(c=b.default_text_font_families.length;a<c;a++)this.text_font_families[a]=b.default_text_font_families[a];this.text_color=b.default_text_color;this.shapes_color=b.default_shapes_color; +this.shapes_lineWidth_2D=b.default_shapes_lineWidth_2D;this.shapes_arrowLength_2D=b.default_shapes_arrowLength_2D;this.pusher_showElectron_2D=b.default_pusher_showElectron_2D;this.set3DRepresentation=function(a){this.bonds_display=this.atoms_display=!0;this.bonds_color="#777777";this.bonds_showBondOrders_3D=this.bonds_useJMOLColors=this.atoms_useJMOLColors=this.atoms_useVDWDiameters_3D=!0;this.bonds_renderAsLines_3D=!1;"Ball and Stick"===a?(this.atoms_vdwMultiplier_3D=0.3,this.bonds_useJMOLColors= +!1,this.bonds_cylinderDiameter_3D=0.3,this.bonds_materialAmbientColor_3D=b.default_atoms_materialAmbientColor_3D):"van der Waals Spheres"===a?(this.bonds_display=!1,this.atoms_vdwMultiplier_3D=1):"Stick"===a?(this.bonds_showBondOrders_3D=this.atoms_useVDWDiameters_3D=!1,this.bonds_cylinderDiameter_3D=this.atoms_sphereDiameter_3D=0.8,this.bonds_materialAmbientColor_3D=this.atoms_materialAmbientColor_3D):"Wireframe"===a?(this.atoms_useVDWDiameters_3D=!1,this.bonds_cylinderDiameter_3D=0.05,this.atoms_sphereDiameter_3D= +0.15,this.bonds_materialAmbientColor_3D=b.default_atoms_materialAmbientColor_3D):"Line"===a?(this.atoms_display=!1,this.bonds_renderAsLines_3D=!0,this.bonds_width_2D=1,this.bonds_cylinderDiameter_3D=0.05):alert('"'+a+'" is not recognized. Use one of the following strings:\n\n1. Ball and Stick\n2. van der Waals Spheres\n3. Stick\n4. Wireframe\n5. Line\n')};this.getFontString=function(a,b,c,g){var e=[];c&&e.push("bold ");g&&e.push("italic ");e.push(a+"px ");a=0;for(c=b.length;a<c;a++)g=b[a],-1!==g.indexOf(" ")&& +(g='"'+g+'"'),e.push((0!==a?",":"")+g);return e.join("")}}})(ChemDoodle,ChemDoodle.structures,Math); +(function(b,e,a,h){a.getPointsPerAngstrom=function(){return b.default_bondLength_2D/b.default_angstromsPerBondLength};a.BondDeducer=function(){this.margin=1.1;this.deduceCovalentBonds=function(b,d){var f=a.getPointsPerAngstrom();d&&(f=d);for(var q=0,g=b.atoms.length;q<g;q++)for(var o=q+1;o<g;o++){var m=b.atoms[q],j=b.atoms[o];m.distance3D(j)<(e[m.label].covalentRadius+e[j.label].covalentRadius)*f*this.margin&&b.bonds.push(new h.Bond(m,j,1))}};return!0}})(ChemDoodle,ChemDoodle.ELEMENT,ChemDoodle.informatics, +ChemDoodle.structures);(function(b){b.HydrogenDeducer=function(){this.removeHydrogens=function(b){for(var a=[],h=[],c=0,d=b.bonds.length;c<d;c++)"H"!==b.bonds[c].a1.label&&"H"!==b.bonds[c].a2.label&&h.push(b.bonds[c]);c=0;for(d=b.atoms.length;c<d;c++)"H"!==b.atoms[c].label&&a.push(b.atoms[c]);b.atoms=a;b.bonds=h};return!0}})(ChemDoodle.informatics); +(function(b,e,a){e.MolecularSurfaceGenerator=function(){this.generateSurface=function(b,c,d,f,e){return new a.MolecularSurface(b,c,d,f,e)};return!0}})(ChemDoodle,ChemDoodle.informatics,ChemDoodle.structures.d3); +(function(b,e){b.Splitter=function(){this.split=function(a){for(var b=[],c=0,d=a.atoms.length;c<d;c++)a.atoms[c].visited=!1;c=0;for(d=a.bonds.length;c<d;c++)a.bonds[c].visited=!1;c=0;for(d=a.atoms.length;c<d;c++){var f=a.atoms[c];if(!f.visited){var q=new e.Molecule;q.atoms.push(f);f.visited=!0;var g=new e.Queue;for(g.enqueue(f);!g.isEmpty();)for(var f=g.dequeue(),o=0,m=a.bonds.length;o<m;o++){var j=a.bonds[o];j.contains(f)&&!j.visited&&(j.visited=!0,q.bonds.push(j),j=j.getNeighbor(f),j.visited||(j.visited= +!0,q.atoms.push(j),g.enqueue(j)))}b.push(q)}}return b};return!0}})(ChemDoodle.informatics,ChemDoodle.structures); +(function(b,e){b.StructureBuilder=function(){this.copy=function(a){for(var b=0,c=a.atoms.length;b<c;b++)a.atoms[b].metaID=b;for(var d=new e.Molecule,b=0,c=a.atoms.length;b<c;b++)d.atoms[b]=new e.Atom(a.atoms[b].label,a.atoms[b].x,a.atoms[b].y,a.atoms[b].z);b=0;for(c=a.bonds.length;b<c;b++)d.bonds[b]=new e.Bond(d.atoms[a.bonds[b].a1.metaID],d.atoms[a.bonds[b].a2.metaID],a.bonds[b].bondOrder);return d};return!0}})(ChemDoodle.informatics,ChemDoodle.structures); +(function(b){b._Counter=function(){this.value=0;this.molecule=void 0;this.setMolecule=function(b){this.value=0;this.molecule=b;this.innerCalculate&&this.innerCalculate()};return!0}})(ChemDoodle.informatics);(function(b){b.FrerejacqueNumberCounter=function(b){this.setMolecule(b);return!0};b.FrerejacqueNumberCounter.prototype=new b._Counter;b.FrerejacqueNumberCounter.prototype.innerCalculate=function(){this.value=this.molecule.bonds.length-this.molecule.atoms.length+(new b.NumberOfMoleculesCounter(this.molecule)).value}})(ChemDoodle.informatics); +(function(b,e){e.NumberOfMoleculesCounter=function(a){this.setMolecule(a);return!0};e.NumberOfMoleculesCounter.prototype=new e._Counter;e.NumberOfMoleculesCounter.prototype.innerCalculate=function(){for(var a=0,e=this.molecule.atoms.length;a<e;a++)this.molecule.atoms[a].visited=!1;a=0;for(e=this.molecule.atoms.length;a<e;a++)if(!this.molecule.atoms[a].visited){this.value++;var c=new b.Queue;this.molecule.atoms[a].visited=!0;for(c.enqueue(this.molecule.atoms[a]);!c.isEmpty();)for(var d=c.dequeue(), +f=0,q=this.molecule.bonds.length;f<q;f++){var g=this.molecule.bonds[f];g.contains(d)&&(g=g.getNeighbor(d),g.visited||(g.visited=!0,c.enqueue(g)))}}}})(ChemDoodle.structures,ChemDoodle.informatics); +(function(b,e){b._RingFinder=function(){this.rings=this.bonds=this.atoms=void 0;this.reduce=function(a){for(var b=0,c=a.atoms.length;b<c;b++)a.atoms[b].visited=!1;b=0;for(c=a.bonds.length;b<c;b++)a.bonds[b].visited=!1;for(var d=!0;d;){d=!1;b=0;for(c=a.atoms.length;b<c;b++){for(var f=0,e,g=0,o=a.bonds.length;g<o;g++)if(a.bonds[g].contains(a.atoms[b])&&!a.bonds[g].visited){f++;if(2===f)break;e=a.bonds[g]}1===f&&(d=!0,e.visited=!0,a.atoms[b].visited=!0)}}b=0;for(c=a.atoms.length;b<c;b++)a.atoms[b].visited|| +this.atoms.push(a.atoms[b]);b=0;for(c=a.bonds.length;b<c;b++)a.bonds[b].visited||this.bonds.push(a.bonds[b]);0===this.bonds.length&&0!==this.atoms.length&&(this.atoms=[])};this.setMolecule=function(a){this.atoms=[];this.bonds=[];this.rings=[];this.reduce(a);2<this.atoms.length&&this.innerGetRings&&this.innerGetRings()};this.fuse=function(){for(var a=0,b=this.rings.length;a<b;a++)for(var c=0,d=this.bonds.length;c<d;c++)-1!==e(this.bonds[c].a1,this.rings[a].atoms)&&-1!==e(this.bonds[c].a2,this.rings[a].atoms)&& +this.rings[a].bonds.push(this.bonds[c])};return!0}})(ChemDoodle.informatics,jQuery.inArray); +(function(b,e,a){function h(b,d){this.atoms=[];if(d)for(var f=0,q=d.atoms.length;f<q;f++)this.atoms[f]=d.atoms[f];this.atoms.push(b);this.grow=function(b,c){for(var d=this.atoms[this.atoms.length-1],f=[],e=0,q=b.length;e<q;e++)if(b[e].contains(d)){var r=b[e].getNeighbor(d);-1===a(r,c)&&f.push(r)}d=[];e=0;for(q=f.length;e<q;e++)d.push(new h(f[e],this));return d};this.check=function(b,c,d){for(var f=0,h=c.atoms.length-1;f<h;f++)if(-1!==a(c.atoms[f],this.atoms))return;var q;if(c.atoms[c.atoms.length- +1]===this.atoms[this.atoms.length-1]){q=new e.Ring;q.atoms[0]=d;f=0;for(h=this.atoms.length;f<h;f++)q.atoms.push(this.atoms[f]);for(f=c.atoms.length-2;0<=f;f--)q.atoms.push(c.atoms[f])}else{for(var r=[],f=0,h=b.length;f<h;f++)b[f].contains(c.atoms[c.atoms.length-1])&&r.push(b[f]);f=0;for(h=r.length;f<h;f++)if((1===c.atoms.length||!r[f].contains(c.atoms[c.atoms.length-2]))&&r[f].contains(this.atoms[this.atoms.length-1])){q=new e.Ring;q.atoms[0]=d;b=0;for(d=this.atoms.length;b<d;b++)q.atoms.push(this.atoms[b]); +for(b=c.atoms.length-1;0<=b;b--)q.atoms.push(c.atoms[b]);break}}return q};return!0}b.EulerFacetRingFinder=function(a){this.fingerBreak=5;this.setMolecule(a);return!0};b.EulerFacetRingFinder.prototype=new b._RingFinder;b.EulerFacetRingFinder.prototype.innerGetRings=function(){for(var b=0,d=this.atoms.length;b<d;b++){for(var f=[],e=0,g=this.bonds.length;e<g;e++)this.bonds[e].contains(this.atoms[b])&&f.push(this.bonds[e].getNeighbor(this.atoms[b]));e=0;for(g=f.length;e<g;e++)for(var o=e+1;o<f.length;o++){var m= +[];m[0]=new h(f[e]);m[1]=new h(f[o]);var j=[];j[0]=this.atoms[b];for(var l=0,n=f.length;l<n;l++)l!==e&&l!==o&&j.push(f[l]);var r=[];for((l=m[0].check(this.bonds,m[1],this.atoms[b]))&&(r[0]=l);0===r.length&&0<m.length&&m[0].atoms.length<this.fingerBreak;){for(var k=[],l=0,n=m.length;l<n;l++)for(var v=m[l].grow(this.bonds,j),x=0,t=v.length;x<t;x++)k.push(v[x]);m=k;l=0;for(n=m.length;l<n;l++)for(x=l+1;x<n;x++)(t=m[l].check(this.bonds,m[x],this.atoms[b]))&&r.push(t);if(0===r.length){k=[];l=0;for(n=j.length;l< +n;l++){x=0;for(t=this.bonds.length;x<t;x++)this.bonds[x].contains(j[l])&&(f=this.bonds[x].getNeighbor(j[l]),-1===a(f,j)&&-1===a(f,k)&&k.push(f))}l=0;for(n=k.length;l<n;l++)j.push(k[l])}}if(0<r.length){m=void 0;l=0;for(n=r.length;l<n;l++)if(!m||m.atoms.length>r[l].atoms.length)m=r[l];r=!1;l=0;for(n=this.rings.length;l<n;l++){j=!0;x=0;for(t=m.atoms.length;x<t;x++)if(-1===a(m.atoms[x],this.rings[l].atoms)){j=!1;break}if(j){r=!0;break}}r||this.rings.push(m)}}}this.fuse()}})(ChemDoodle.informatics,ChemDoodle.structures, +jQuery.inArray); +(function(b){b.SSSRFinder=function(e){this.rings=[];if(0<e.atoms.length){var a=(new b.FrerejacqueNumberCounter(e)).value,h=(new b.EulerFacetRingFinder(e)).rings;h.sort(function(a,b){return a.atoms.length-b.atoms.length});for(var c=0,d=e.bonds.length;c<d;c++)e.bonds[c].visited=!1;c=0;for(d=h.length;c<d;c++){for(var e=!1,f=0,q=h[c].bonds.length;f<q;f++)if(!h[c].bonds[f].visited){e=!0;break}if(e){f=0;for(q=h[c].bonds.length;f<q;f++)h[c].bonds[f].visited=!0;this.rings.push(h[c])}if(this.rings.length===a)break}}return!0}})(ChemDoodle.informatics); +(function(b){b._Interpreter=function(){};b._Interpreter.prototype.fit=function(b,a,h){for(var c=b.length,d=[],f=0;f<a-c;f++)d.push(" ");return h?b+d.join(""):d.join("")+b}})(ChemDoodle.io); +(function(b,e,a,h,c,d,f,q){var g=/\s+/g,o=/\(|\)|\s+/g,m=/\'|\s+/g,j=/,|\'|\s+/g,l=/^\s+/,n=/[0-9]/g,r=/[0-9]|\+|\-/g,k=function(a){return 0!==a.length},v={P:[],A:[[0,0.5,0.5]],B:[[0.5,0,0.5]],C:[[0.5,0.5,0]],I:[[0.5,0.5,0.5]],R:[[2/3,1/3,1/3],[1/3,2/3,2/3]],S:[[1/3,1/3,2/3],[2/3,2/3,1/3]],T:[[1/3,2/3,1/3],[2/3,1/3,2/3]],F:[[0,0.5,0.5],[0.5,0,0.5],[0.5,0.5,0]]},x=function(a){var b=0,c=0,d=0,f=0,e=a.indexOf("x"),g=a.indexOf("y"),j=a.indexOf("z");-1!==e&&(c++,0<e&&"+"!==a.charAt(e-1)&&(c*=-1));-1!== +g&&(d++,0<g&&"+"!==a.charAt(g-1)&&(d*=-1));-1!==j&&(f++,0<j&&"+"!==a.charAt(j-1)&&(f*=-1));if(2<a.length){e="+";g=0;for(j=a.length;g<j;g++){var h=a.charAt(g);if(("-"===h||"/"===h)&&(g===a.length-1||a.charAt(g+1).match(n)))e=h;h.match(n)&&("+"===e?b+=parseInt(h):"-"===e?b-=parseInt(h):"/"===e&&(b/=parseInt(h)))}}return[b,c,d,f]};a.CIFInterpreter=function(){this.read=function(a,f,n,p){var f=f?f:1,n=n?n:1,p=p?p:1,t=new h.Molecule;if(!a)return t;for(var B=a.split("\n"),D=0,G=0,F=0,C=a=0,E=0,I="P",L,H, +K,z,N=!0;0<B.length;)if(N?z=B.shift():N=!0,0<z.length)if(e.stringStartsWith(z,"_cell_length_a"))D=parseFloat(z.split(o)[1]);else if(e.stringStartsWith(z,"_cell_length_b"))G=parseFloat(z.split(o)[1]);else if(e.stringStartsWith(z,"_cell_length_c"))F=parseFloat(z.split(o)[1]);else if(e.stringStartsWith(z,"_cell_angle_alpha"))a=c.PI*parseFloat(z.split(o)[1])/180;else if(e.stringStartsWith(z,"_cell_angle_beta"))C=c.PI*parseFloat(z.split(o)[1])/180;else if(e.stringStartsWith(z,"_cell_angle_gamma"))E=c.PI* +parseFloat(z.split(o)[1])/180;else if(e.stringStartsWith(z,"_symmetry_space_group_name_H-M"))I=z.split(m)[1];else if(e.stringStartsWith(z,"loop_")){for(var J={fields:[],lines:[]},P=!1;void 0!==(z=B.shift())&&!e.stringStartsWith(z=z.replace(l,""),"loop_")&&0<z.length;)if(e.stringStartsWith(z,"_")){if(P)break;J.fields=J.fields.concat(z.split(g).filter(k))}else P=!0,J.lines.push(z);if(0!==B.length&&(e.stringStartsWith(z,"loop_")||e.stringStartsWith(z,"_")))N=!1;-1!==q("_symmetry_equiv_pos_as_xyz",J.fields)|| +-1!==q("_space_group_symop_operation_xyz",J.fields)?L=J:-1!==q("_atom_site_label",J.fields)?H=J:-1!==q("_geom_bond_atom_site_label_1",J.fields)&&(K=J)}z=D;a=(c.cos(a)-c.cos(E)*c.cos(C))/c.sin(E);a=[z,0,0,0,G*c.cos(E),G*c.sin(E),0,0,F*c.cos(C),F*a,F*c.sqrt(1-c.pow(c.cos(C),2)-a*a),0,0,0,0,1];if(H){J=N=D=B=F=-1;E=0;for(C=H.fields.length;E<C;E++)z=H.fields[E],"_atom_site_type_symbol"===z?F=E:"_atom_site_label"===z?B=E:"_atom_site_fract_x"===z?D=E:"_atom_site_fract_y"===z?N=E:"_atom_site_fract_z"===z&& +(J=E);E=0;for(C=H.lines.length;E<C;E++)z=H.lines[E],G=z.split(g).filter(k),z=new h.Atom(G[-1===F?B:F].split(r)[0],parseFloat(G[D]),parseFloat(G[N]),parseFloat(G[J])),t.atoms.push(z),-1!==B&&(z.cifId=G[B],z.cifPart=0)}if(L&&!K){E=G=0;for(C=L.fields.length;E<C;E++)if(z=L.fields[E],"_symmetry_equiv_pos_as_xyz"===z||"_space_group_symop_operation_xyz"===z)G=E;N=v[I];B=[];E=0;for(C=L.lines.length;E<C;E++){z=L.lines[E].split(j).filter(k);for(var J=x(z[G]),P=x(z[G+1]),M=x(z[G+2]),I=0,D=t.atoms.length;I<D;I++){z= +t.atoms[I];var Q=z.x*J[1]+z.y*J[2]+z.z*J[3]+J[0],S=z.x*P[1]+z.y*P[2]+z.z*P[3]+P[0],R=z.x*M[1]+z.y*M[2]+z.z*M[3]+M[0];H=new h.Atom(z.label,Q,S,R);B.push(H);void 0!==z.cifId&&(H.cifId=z.cifId,H.cifPart=E+1);if(N){H=0;for(F=N.length;H<F;H++){var O=N[H],O=new h.Atom(z.label,Q+O[0],S+O[1],R+O[2]);B.push(O);void 0!==z.cifId&&(O.cifId=z.cifId,O.cifPart=E+1)}}}}E=0;for(C=B.length;E<C;E++){for(z=B[E];1<=z.x;)z.x--;for(;0>z.x;)z.x++;for(;1<=z.y;)z.y--;for(;0>z.y;)z.y++;for(;1<=z.z;)z.z--;for(;0>z.z;)z.z++}H= +[];E=0;for(C=B.length;E<C;E++){F=!1;z=B[E];I=0;for(D=t.atoms.length;I<D;I++)if(1.0E-4>t.atoms[I].distance3D(z)){F=!0;break}if(!F){I=0;for(D=H.length;I<D;I++)if(1.0E-4>H[I].distance3D(z)){F=!0;break}F||H.push(z)}}t.atoms=t.atoms.concat(H)}C=[];for(E=0;E<f;E++)for(I=0;I<n;I++)for(H=0;H<p;H++)if(!(0===E&&0===I&&0===H)){F=0;for(G=t.atoms.length;F<G;F++)z=t.atoms[F],B=new h.Atom(z.label,z.x+E,z.y+I,z.z+H),C.push(B),void 0!==z.cifId&&(B.cifId=z.cifId,B.cifPart=z.cifPart+(L?L.lines.length:0)+E+10*I+100* +H)}t.atoms=t.atoms.concat(C);E=0;for(C=t.atoms.length;E<C;E++)z=t.atoms[E],L=d.multiplyVec3(a,[z.x,z.y,z.z]),z.x=L[0],z.y=L[1],z.z=L[2];if(K){B=L=-1;E=0;for(C=K.fields.length;E<C;E++)z=K.fields[E],"_geom_bond_atom_site_label_1"===z?L=E:"_geom_bond_atom_site_label_2"===z&&(B=E);H=0;for(F=K.lines.length;H<F;H++){G=K.lines[H].split(g).filter(k);z=G[L];G=G[B];E=0;for(C=t.atoms.length;E<C;E++)for(I=E+1;I<C;I++){D=t.atoms[E];N=t.atoms[I];if(D.cifPart!==N.cifPart)break;(D.cifId===z&&N.cifId===G||D.cifId=== +G&&N.cifId===z)&&t.bonds.push(new h.Bond(D,N))}}}else(new b.informatics.BondDeducer).deduceCovalentBonds(t,1);f=[-f/2,-n/2,-p/2];t.unitCellVectors={o:d.multiplyVec3(a,f,[]),x:d.multiplyVec3(a,[f[0]+1,f[1],f[2]]),y:d.multiplyVec3(a,[f[0],f[1]+1,f[2]]),z:d.multiplyVec3(a,[f[0],f[1],f[2]+1]),xy:d.multiplyVec3(a,[f[0]+1,f[1]+1,f[2]]),xz:d.multiplyVec3(a,[f[0]+1,f[1],f[2]+1]),yz:d.multiplyVec3(a,[f[0],f[1]+1,f[2]+1]),xyz:d.multiplyVec3(a,[f[0]+1,f[1]+1,f[2]+1])};return t}};a.CIFInterpreter.prototype=new a._Interpreter; +var t=new a.CIFInterpreter;b.readCIF=function(a,b,c,d){return t.read(a,b,c,d)}})(ChemDoodle,ChemDoodle.extensions,ChemDoodle.io,ChemDoodle.structures,Math,mat4,vec3,jQuery.inArray); +(function(b,e,a,h,c){a.MOLInterpreter=function(){this.read=function(a,c){c||(c=b.default_bondLength_2D);var d=new h.Molecule;if(!a)return d;for(var o=a.split("\n"),m=o[3],j=parseInt(m.substring(0,3)),m=parseInt(m.substring(3,6)),l=0;l<j;l++){var n=o[4+l];d.atoms[l]=new h.Atom(n.substring(31,34),parseFloat(n.substring(0,10))*c,(1===c?1:-1)*parseFloat(n.substring(10,20))*c,parseFloat(n.substring(20,30))*c);var r=parseInt(n.substring(34,36));0!==r&&e[d.atoms[l].label]&&(d.atoms[l].mass=e[d.atoms[l].label].mass+ +r);switch(parseInt(n.substring(36,39))){case 1:d.atoms[l].charge=3;break;case 2:d.atoms[l].charge=2;break;case 3:d.atoms[l].charge=1;break;case 5:d.atoms[l].charge=-1;break;case 6:d.atoms[l].charge=-2;break;case 7:d.atoms[l].charge=-3}}for(l=0;l<m;l++){var n=o[4+j+l],k=parseInt(n.substring(6,9)),r=parseInt(n.substring(9,12));if(3<k)switch(k){case 4:k=1.5;break;default:k=1}n=new h.Bond(d.atoms[parseInt(n.substring(0,3))-1],d.atoms[parseInt(n.substring(3,6))-1],k);switch(r){case 3:n.stereo=h.Bond.STEREO_AMBIGUOUS; +break;case 1:n.stereo=h.Bond.STEREO_PROTRUDING;break;case 6:n.stereo=h.Bond.STEREO_RECESSED}d.bonds[l]=n}return d};this.write=function(a){var d=[];d.push("Molecule from ChemDoodle Web Components\n\nhttp://www.ichemlabs.com\n");d.push(this.fit(a.atoms.length.toString(),3));d.push(this.fit(a.bonds.length.toString(),3));d.push(" 0 0 0 0 999 v2000\n");for(var g=a.getCenter(),o=0,m=a.atoms.length;o<m;o++){var j=a.atoms[o],l=" 0";if(-1!==j.mass&&e[j.label]){var n=j.mass-e[j.label].mass;5> +n&&-4<n&&(l=(-1<n?" ":"")+n)}n=" 0";if(0!==j.charge)switch(j.charge){case 3:n=" 1";break;case 2:n=" 2";break;case 1:n=" 3";break;case -1:n=" 5";break;case -2:n=" 6";break;case -3:n=" 7"}d.push(this.fit(((j.x-g.x)/b.default_bondLength_2D).toFixed(4),10));d.push(this.fit((-(j.y-g.y)/b.default_bondLength_2D).toFixed(4),10));d.push(this.fit((j.z/b.default_bondLength_2D).toFixed(4),10));d.push(" ");d.push(this.fit(j.label,3,!0));d.push(l);d.push(n);d.push(" 0 0 0 0\n")}o=0;for(m=a.bonds.length;o< +m;o++)g=a.bonds[o],j=0,g.stereo===h.Bond.STEREO_AMBIGUOUS?j=3:g.stereo===h.Bond.STEREO_PROTRUDING?j=1:g.stereo===h.Bond.STEREO_RECESSED&&(j=6),d.push(this.fit((c(g.a1,a.atoms)+1).toString(),3)),d.push(this.fit((c(g.a2,a.atoms)+1).toString(),3)),d.push(this.fit(g.bondOrder.toString(),3)),d.push(" "),d.push(j),d.push(" 0 0\n");d.push("M END");return d.join("")}};a.MOLInterpreter.prototype=new a._Interpreter;var d=new a.MOLInterpreter;b.readMOL=function(a,b){return d.read(a,b)};b.writeMOL=function(a){return d.write(a)}})(ChemDoodle, +ChemDoodle.ELEMENT,ChemDoodle.io,ChemDoodle.structures,jQuery.inArray); +(function(b,e,a,h,c,d,f){a.PDBInterpreter=function(){function a(b,c,d,f,e){for(var g=0,h=c.length;g<h;g++){var q=c[g];if(q.id===d&&f>=q.start&&f<=q.end){e?b.helix=!0:b.sheet=!0;f+1===q.end&&(b.arrow=!0);break}}}this.deduceResidueBonds=this.calculateRibbonDistances=!1;this.read=function(q,m){var j=new h.Molecule;j.chains=[];if(!q)return j;var l=q.split("\n");m||(m=1);for(var n=[],r=[],k,v=[],x=[],t=[],y=0,w=l.length;y<w;y++){var u=l[y];if(e.stringStartsWith(u,"HELIX"))n.push({id:u.substring(19,20), +start:parseInt(u.substring(21,25)),end:parseInt(u.substring(33,37))});else if(e.stringStartsWith(u,"SHEET"))r.push({id:u.substring(21,22),start:parseInt(u.substring(22,26)),end:parseInt(u.substring(33,37))});else if(e.stringStartsWith(u,"ATOM")){var p=u.substring(16,17);if(" "===p||"A"===p){p=d(u.substring(76,78));if(0===p.length){var A=d(u.substring(12,14));"HD"===A?p="H":0<A.length&&(p=1<A.length?A.charAt(0)+A.substring(1).toLowerCase():A)}A=new h.Atom(p,parseFloat(u.substring(30,38))*m,parseFloat(u.substring(38, +46))*m,parseFloat(u.substring(46,54))*m);A.hetatm=!1;x.push(A);var B=parseInt(u.substring(22,26));if(0===v.length)for(p=0;2>p;p++){var D=new h.Residue(-1);D.cp1=A;D.cp2=A;v.push(D)}B!==Number.NaN&&v[v.length-1].resSeq!==B&&(p=new h.Residue(B),p.name=d(u.substring(17,20)),3===p.name.length?p.name=p.name.substring(0,1)+p.name.substring(1).toLowerCase():2===p.name.length&&"D"===p.name.charAt(0)&&(p.name=p.name.substring(1)),v.push(p),D=u.substring(21,22),a(p,n,D,B,!0),a(p,r,D,B,!1));u=d(u.substring(12, +16));p=v[v.length-1];if("CA"===u||"P"===u||"O5'"===u)p.cp1||(p.cp1=A);else if("N3"===u&&("C"===p.name||"U"===p.name||"T"===p.name)||"N1"===u&&("A"===p.name||"G"===p.name))p.cp3=A;else if("C2"===u)p.cp4=A;else if("C4"===u&&("C"===p.name||"U"===p.name||"T"===p.name)||"C6"===u&&("A"===p.name||"G"===p.name))p.cp5=A;else if("O"===u||"C6"===u&&("C"===p.name||"U"===p.name||"T"===p.name)||"N9"===u){if(!v[v.length-1].cp2){if("C6"===u||"N9"===u)k=A;p.cp2=A}}else"C"===u&&(k=A)}}else if(e.stringStartsWith(u, +"HETATM"))p=d(u.substring(76,78)),0===p.length&&(p=d(u.substring(12,16))),1<p.length&&(p=p.substring(0,1)+p.substring(1).toLowerCase()),p=new h.Atom(p,parseFloat(u.substring(30,38))*m,parseFloat(u.substring(38,46))*m,parseFloat(u.substring(46,54))*m),p.hetatm=!0,"HOH"===d(u.substring(17,20))&&(p.isWater=!0),j.atoms.push(p),t[parseInt(d(u.substring(6,11)))]=p;else if(e.stringStartsWith(u,"CONECT")){if(p=parseInt(d(u.substring(6,11))),t[p]){A=t[p];for(B=0;4>B;B++)if(p=d(u.substring(11+5*B,16+5*B)), +0!==p.length&&(p=parseInt(p),t[p])){for(var D=t[p],G=!1,p=0,F=j.bonds.length;p<F;p++){var C=j.bonds[p];if(C.a1===A&&C.a2===D||C.a1===D&&C.a2===A){G=!0;break}}G||j.bonds.push(new h.Bond(A,D))}}}else if(e.stringStartsWith(u,"TER"))this.endChain(j,v,k,x),v=[];else if(e.stringStartsWith(u,"ENDMDL"))break}this.endChain(j,v,k,x);0===j.bonds.size&&(new b.informatics.BondDeducer).deduceCovalentBonds(j,m);if(this.deduceResidueBonds){y=0;for(w=x.length;y<w;y++){l=f.min(w,y+20);for(p=y+1;p<l;p++)n=x[y],r=x[p], +n.distance3D(r)<1.1*(c[n.label].covalentRadius+c[r.label].covalentRadius)&&j.bonds.push(new h.Bond(n,r,1))}}j.atoms=j.atoms.concat(x);this.calculateRibbonDistances&&this.calculateDistances(j,x);return j};this.endChain=function(a,b,c,d){if(0<b.length){var f=b[b.length-1];f.cp1||(f.cp1=d[d.length-2]);f.cp2||(f.cp2=d[d.length-1]);for(d=0;4>d;d++)f=new h.Residue(-1),f.cp1=c,f.cp2=b[b.length-1].cp2,b.push(f);a.chains.push(b)}};this.calculateDistances=function(a,b){for(var c=[],d=0,f=a.atoms.length;d<f;d++){var e= +a.atoms[d];e.hetatm&&(e.isWater||c.push(e))}d=0;for(f=b.length;d<f;d++)if(e=b[d],e.closestDistance=Number.POSITIVE_INFINITY,0===c.length)e.closestDistance=0;else for(var g=0,h=c.length;g<h;g++)e.closestDistance=Math.min(e.closestDistance,e.distance3D(c[g]))}};a.PDBInterpreter.prototype=new a._Interpreter;var q=new a.PDBInterpreter;b.readPDB=function(a,b){return q.read(a,b)}})(ChemDoodle,ChemDoodle.extensions,ChemDoodle.io,ChemDoodle.structures,ChemDoodle.ELEMENT,jQuery.trim,Math); +(function(b,e,a,h,c,d){var f={"@":0,A:1,B:2,C:3,D:4,E:5,F:6,G:7,H:8,I:9,a:-1,b:-2,c:-3,d:-4,e:-5,f:-6,g:-7,h:-8,i:-9},q={"%":0,J:1,K:2,L:3,M:4,N:5,O:6,P:7,Q:8,R:9,j:-1,k:-2,l:-3,m:-4,n:-5,o:-6,p:-7,q:-8,r:-9},g={S:1,T:2,U:3,V:4,W:5,X:6,Y:7,Z:8,s:9};a.JCAMPInterpreter=function(){this.convertHZ2PPM=!1;this.read=function(a){this.isBreak=function(a){return void 0!==f[a]||void 0!==q[a]||void 0!==g[a]||" "===a||"-"===a||"+"===a};this.getValue=function(a,b){var c=a.charAt(0),d=a.substring(1);return void 0!== +f[c]?parseFloat(f[c]+d):void 0!==q[c]?parseFloat(q[c]+d)+b:parseFloat(d)};var b=new h.Spectrum;if(void 0===a||0===a.length)return b;for(var a=a.split("\n"),l=[],n,o,k,v,x=1,t=1,y=1,w=-1,u=-1,p=-1,A=!0,B=!1,D=0,G=a.length;D<G;D++){var F=d(a[D]),C=c.inArray("$$",F);-1!==C&&(F=F.substring(0,C));if(0===l.length||!e.stringStartsWith(a[D],"##"))0!==l.length&&l.push("\n"),l.push(d(F));else if(C=l.join(""),A&&100>C.length&&b.metadata.push(C),l=[F],e.stringStartsWith(C,"##TITLE="))b.title=d(C.substring(8)); +else if(e.stringStartsWith(C,"##XUNITS="))b.xUnit=d(C.substring(9)),this.convertHZ2PPM&&"HZ"===b.xUnit.toUpperCase()&&(b.xUnit="PPM",B=!0);else if(e.stringStartsWith(C,"##YUNITS="))b.yUnit=d(C.substring(9));else if(!e.stringStartsWith(C,"##XYPAIRS="))if(e.stringStartsWith(C,"##FIRSTX="))o=parseFloat(d(C.substring(9)));else if(e.stringStartsWith(C,"##LASTX="))n=parseFloat(d(C.substring(8)));else if(e.stringStartsWith(C,"##FIRSTY="))k=parseFloat(d(C.substring(9)));else if(e.stringStartsWith(C,"##NPOINTS="))v= +parseFloat(d(C.substring(10)));else if(e.stringStartsWith(C,"##XFACTOR="))x=parseFloat(d(C.substring(10)));else if(e.stringStartsWith(C,"##YFACTOR="))t=parseFloat(d(C.substring(10)));else if(e.stringStartsWith(C,"##DELTAX="))w=parseFloat(d(C.substring(9)));else if(e.stringStartsWith(C,"##.OBSERVE FREQUENCY="))this.convertHZ2PPM&&(y=parseFloat(d(C.substring(21))));else if(e.stringStartsWith(C,"##.SHIFT REFERENCE="))this.convertHZ2PPM&&(p=C.substring(19).split(","),u=parseInt(d(p[2])),p=parseFloat(d(p[3]))); +else if(e.stringStartsWith(C,"##XYDATA=")){B||(y=1);var F=A=!1,C=C.split("\n"),E=(n-o)/(v-1);if(-1!==w)for(var I=1,L=C.length;I<L;I++)if("|"===C[I].charAt(0)){E=w;break}for(var H=o-E,K=k,z=0,N,I=1,L=C.length;I<L;I++){for(var J=[],H=d(C[I]),l=[],P=!1,M=0,Q=H.length;M<Q;M++)this.isBreak(H.charAt(M))?(0<l.length&&!(1===l.length&&" "===l[0])&&J.push(l.join("")),l=[H.charAt(M)]):"|"===H.charAt(M)?P=!0:l.push(H.charAt(M));J.push(l.join(""));H=parseFloat(J[0])*x-E;M=1;for(Q=J.length;M<Q;M++)if(K=J[M],void 0!== +g[K.charAt(0)])for(var S=parseInt(g[K.charAt(0)]+K.substring(1))-1,R=0;R<S;R++)H+=E,z=this.getValue(N,z),K=z*t,O++,b.data[b.data.length-1]=new h.Point(H/y,K);else void 0!==f[K.charAt(0)]&&F?(K=this.getValue(K,z)*t,P&&(H+=E,b.data.push(new h.Point(H/y,K)))):(F=void 0!==q[K.charAt(0)],N=K,H+=E,z=this.getValue(K,z),K=z*t,O++,b.data.push(new h.Point(H/y,K)))}if(-1!==u){F=p-b.data[u-1].x;D=0;for(G=b.data.length;D<G;D++)b.data[D].x+=F}}else if(e.stringStartsWith(C,"##PEAK TABLE=")){A=!1;b.continuous=!1; +for(var C=C.split("\n"),O=0,I=1,L=C.length;I<L;I++){F=C[I].split(/[\s,]+/);O+=F.length/2;M=0;for(Q=F.length;M+1<Q;M+=2)b.data.push(new h.Point(parseFloat(d(F[M])),parseFloat(d(F[M+1]))))}}}b.setup();return b}};a.JCAMPInterpreter.prototype=new a._Interpreter;var o=new a.JCAMPInterpreter;o.convertHZ2PPM=!0;b.readJCAMP=function(a){return o.read(a)}})(ChemDoodle,ChemDoodle.extensions,ChemDoodle.io,ChemDoodle.structures,jQuery,jQuery.trim); +(function(b,e,a,h){b.JSONInterpreter=function(){this.contentTo=function(a,b){for(var f=0,e=0,g=0,h=a.length;g<h;g++){for(var m=a[g],j=0,l=m.atoms.length;j<l;j++)m.atoms[j].tmpid="a"+f++;j=0;for(l=m.bonds.length;j<l;j++)m.bonds[j].tmpid="b"+e++}g=f=0;for(h=b.length;g<h;g++)b[g].tmpid="s"+f++;f={};if(a&&0<a.length){f.m=[];g=0;for(h=a.length;g<h;g++)f.m.push(this.molTo(a[g]))}if(b&&0<b.length){f.s=[];g=0;for(h=b.length;g<h;g++)f.s.push(this.shapeTo(b[g]))}g=0;for(h=a.length;g<h;g++){m=a[g];j=0;for(l= +m.atoms.length;j<l;j++)m.atoms[j].tmpid=void 0;j=0;for(l=m.bonds.length;j<l;j++)m.bonds[j].tmpid=void 0}g=0;for(h=b.length;g<h;g++)b[g].tmpid=void 0;return f};this.contentFrom=function(a){var b={molecules:[],shapes:[]};if(a.m)for(var f=0,e=a.m.length;f<e;f++)b.molecules.push(this.molFrom(a.m[f]));if(a.s){f=0;for(e=a.s.length;f<e;f++)b.shapes.push(this.shapeFrom(a.s[f],b.molecules))}f=0;for(e=b.molecules.length;f<e;f++){for(var a=b.molecules[f],g=0,h=a.atoms.length;g<h;g++)a.atoms[g].tmpid=void 0; +g=0;for(h=a.bonds.length;g<h;g++)a.bonds[g].tmpid=void 0}f=0;for(e=b.shapes.length;f<e;f++)b.shapes[f].tmpid=void 0;return b};this.molTo=function(a){for(var b={a:[],b:[]},f=0,q=a.atoms.length;f<q;f++){var g=a.atoms[f],o={x:g.x,y:g.y};g.tmpid&&(o.i=g.tmpid);"C"!==g.label&&(o.l=g.label);0!==g.z&&(o.z=g.z);0!==g.charge&&(o.c=g.charge);-1!==g.mass&&(o.m=g.mass);0!==g.numRadical&&(o.r=g.numRadical);0!==g.numLonePair&&(o.p=g.numLonePair);g.any&&(o.q=!0);-1!==g.rgroup&&(o.rg=g.rgroup);b.a.push(o)}f=0;for(q= +a.bonds.length;f<q;f++)g=a.bonds[f],o={b:h(g.a1,a.atoms),e:h(g.a2,a.atoms)},g.tmpid&&(o.i=g.tmpid),1!==g.bondOrder&&(o.o=g.bondOrder),g.stereo!==e.Bond.STEREO_NONE&&(o.s=g.stereo),b.b.push(o);return b};this.molFrom=function(a){for(var b=new e.Molecule,f=0,h=a.a.length;f<h;f++){var g=a.a[f],o=new e.Atom(g.l?g.l:"C",g.x,g.y);g.i&&(o.tmpid=g.i);g.z&&(o.z=g.z);g.c&&(o.charge=g.c);g.m&&(o.mass=g.m);g.r&&(o.numRadical=g.r);g.p&&(o.numLonePair=g.p);g.q&&(o.any=!0);g.rg&&(o.rgroup=g.rg);void 0!==g.p_h&&(o.hetatm= +g.p_h);void 0!==g.p_w&&(o.isWater=g.p_w);void 0!==g.p_d&&(o.closestDistance=g.p_d);b.atoms.push(o)}f=0;for(h=a.b.length;f<h;f++)g=a.b[f],o=new e.Bond(b.atoms[g.b],b.atoms[g.e],g.o?g.o:1),g.i&&(o.tmpid=g.i),g.s&&(o.stereo=g.s),b.bonds.push(o);return b};this.shapeTo=function(b){var d={};b.tmpid&&(d.i=b.tmpid);b instanceof a.Line?(d.t="Line",d.x1=b.p1.x,d.y1=b.p1.y,d.x2=b.p2.x,d.y2=b.p2.y,d.a=b.arrowType):b instanceof a.Pusher&&(d.t="Pusher",d.o1=b.o1.tmpid,d.o2=b.o2.tmpid,1!==b.numElectron&&(d.e=b.numElectron)); +return d};this.shapeFrom=function(b,d){var f;if("Line"===b.t)f=new a.Line(new e.Point(b.x1,b.y1),new e.Point(b.x2,b.y2)),f.arrowType=b.a;else if("Pusher"===b.t){var h,g;f=0;for(var o=d.length;f<o;f++){for(var m=d[f],j=0,l=m.atoms.length;j<l;j++){var n=m.atoms[j];n.tmpid===b.o1?h=n:n.tmpid===b.o2&&(g=n)}j=0;for(l=m.bonds.length;j<l;j++)n=m.bonds[j],n.tmpid===b.o1?h=n:n.tmpid===b.o2&&(g=n)}f=new a.Pusher(h,g);b.e&&(f.numElectron=b.e)}return f};this.pdbFrom=function(a){var b=this.molFrom(a.mol);b.findRings= +!1;b.fromJSON=!0;b.chains=this.chainsFrom(a.ribbons);return b};this.chainsFrom=function(a){for(var b=[],f=0,h=a.cs.length;f<h;f++){for(var g=a.cs[f],o=[],m=0,j=g.length;m<j;m++){var l=g[m],n=new e.Residue;n.name=l.n;n.cp1=new e.Atom("",l.x1,l.y1,l.z1);n.cp2=new e.Atom("",l.x2,l.y2,l.z2);l.x3&&(n.cp3=new e.Atom("",l.x3,l.y3,l.z3),n.cp4=new e.Atom("",l.x4,l.y4,l.z4),n.cp5=new e.Atom("",l.x5,l.y5,l.z5));n.helix=l.h;n.sheet=l.s;n.arrow=l.a;o.push(n)}b.push(o)}return b}}})(ChemDoodle.io,ChemDoodle.structures, +ChemDoodle.structures.d2,jQuery.inArray); +(function(b,e,a){e.RXNInterpreter=function(){this.read=function(c,d){d||(d=b.default_bondLength_2D);var f=[],e;if(c){e=c.split("$MOL\n");for(var g=e[0].split("\n")[4],h=parseInt(g.substring(0,3)),g=parseInt(g.substring(3,6)),m=1,j=0,l=0,n=h+g;l<n;l++){f[l]=b.readMOL(e[m],d);var r=f[l].getBounds(),r=r.maxX-r.minX,j=j-(r+40);m++}l=0;for(n=h;l<n;l++){var r=f[l].getBounds(),r=r.maxX-r.minX,m=f[l].getCenter(),k=0;for(e=f[l].atoms.length;k<e;k++){var v=f[l].atoms[k];v.x+=j+r/2-m.x;v.y-=m.y}j+=r+40}e=new a.d2.Line(new a.Point(j, +0),new a.Point(j+40,0));j+=80;l=h;for(n=h+g;l<n;l++){r=f[l].getBounds();r=r.maxX-r.minX;m=f[l].getCenter();for(k=0;k<f[l].atoms.length;k++)v=f[l].atoms[k],v.x+=j+r/2-m.x,v.y-=m.y;j+=r+40}}else f.push(new a.Molecule),e=new a.d2.Line(new a.Point(-20,0),new a.Point(20,0));e.arrowType=a.d2.Line.ARROW_SYNTHETIC;return{molecules:f,shapes:[e]}};this.write=function(c,d){var f=[[],[]],e=void 0;if(c&&d){g=0;for(h=d.length;g<h;g++)if(d[g]instanceof a.d2.Line){e=d[g].getPoints();break}if(!e)return"";for(var g= +0,h=c.length;g<h;g++)c[g].getCenter().x<e[0].x?f[0].push(c[g]):f[1].push(c[g]);e=[];e.push("$RXN\nReaction from ChemDoodle Web Components\n\nhttp://www.ichemlabs.com\n");e.push(this.fit(f[0].length.toString(),3));e.push(this.fit(f[1].length.toString(),3));e.push("\n");for(g=0;2>g;g++)for(var h=0,m=f[g].length;h<m;h++)e.push("$MOL\n"),e.push(b.writeMOL(f[g][h])),e.push("\n");return e.join("")}}};e.RXNInterpreter.prototype=new e._Interpreter;var h=new e.RXNInterpreter;b.readRXN=function(a,b){return h.read(a, +b)};b.writeRXN=function(a,b){return h.write(a,b)}})(ChemDoodle,ChemDoodle.io,ChemDoodle.structures); +(function(b,e,a,h,c,d){h.XYZInterpreter=function(){this.deduceCovalentBonds=!0;this.read=function(f){var e=new c.Molecule;if(!f)return e;for(var f=f.split("\n"),h=parseInt(d(f[0])),m=0;m<h;m++){var j=f[m+2].split(/\s+/g);e.atoms[m]=new c.Atom(isNaN(j[0])?j[0]:a[parseInt(j[0])-1],parseFloat(j[1]),parseFloat(j[2]),parseFloat(j[3]))}this.deduceCovalentBonds&&(new b.informatics.BondDeducer).deduceCovalentBonds(e,1);return e}};h.XYZInterpreter.prototype=new h._Interpreter;var f=new h.XYZInterpreter;b.readXYZ= +function(a){return f.read(a)}})(ChemDoodle,ChemDoodle.ELEMENT,ChemDoodle.SYMBOLS,ChemDoodle.io,ChemDoodle.structures,jQuery.trim); +ChemDoodle.monitor=function(b,e,a){var h={CANVAS_DRAGGING:void 0,CANVAS_OVER:void 0,ALT:!1,SHIFT:!1,META:!1};b.supports_touch()||e(a).ready(function(){e(a).mousemove(function(a){h.CANVAS_DRAGGING&&h.CANVAS_DRAGGING.drag&&(h.CANVAS_DRAGGING.prehandleEvent(a),h.CANVAS_DRAGGING.drag(a))});e(a).mouseup(function(a){h.CANVAS_DRAGGING&&h.CANVAS_DRAGGING!==h.CANVAS_OVER&&h.CANVAS_DRAGGING.mouseup&&(h.CANVAS_DRAGGING.prehandleEvent(a),h.CANVAS_DRAGGING.mouseup(a));h.CANVAS_DRAGGING=void 0});e(a).keydown(function(a){h.SHIFT= +a.shiftKey;h.ALT=a.altKey;h.META=a.metaKey;var b=h.CANVAS_OVER;h.CANVAS_DRAGGING&&(b=h.CANVAS_DRAGGING);b&&b.keydown&&(b.prehandleEvent(a),b.keydown(a))});e(a).keypress(function(a){var b=h.CANVAS_OVER;h.CANVAS_DRAGGING&&(b=h.CANVAS_DRAGGING);b&&b.keypress&&(b.prehandleEvent(a),b.keypress(a))});e(a).keyup(function(a){h.SHIFT=a.shiftKey;h.ALT=a.altKey;h.META=a.metaKey;var b=h.CANVAS_OVER;h.CANVAS_DRAGGING&&(b=h.CANVAS_DRAGGING);b&&b.keyup&&(b.prehandleEvent(a),b.keyup(a))})});return h}(ChemDoodle.featureDetection, +jQuery,document); +(function(b,e,a,h,c,d,f,q,g,o,m){b._Canvas=function(){this.image=this.emptyMessage=this.shapes=this.molecules=void 0;return!0};b._Canvas.prototype.repaint=function(){if(!this.test){var a=o.getElementById(this.id);if(a.getContext){var b=a.getContext("2d");1!==this.pixelRatio&&a.width===this.width&&(a.width=this.width*this.pixelRatio,a.height=this.height*this.pixelRatio,b.scale(this.pixelRatio,this.pixelRatio));this.image?b.drawImage(this.image,0,0):(this.specs.backgroundColor&&this.bgCache!==a.style.backgroundColor&& +(a.style.backgroundColor=this.specs.backgroundColor,this.bgCache=a.style.backgroundColor),b.fillStyle=this.specs.backgroundColor,b.fillRect(0,0,this.width,this.height));if(this.innerRepaint)this.innerRepaint(b);else if(0!==this.molecules.length||0!==this.shapes.length){b.save();b.translate(this.width/2,this.height/2);b.rotate(this.specs.rotateAngle);b.scale(this.specs.scale,this.specs.scale);b.translate(-this.width/2,-this.height/2);for(var a=0,c=this.molecules.length;a<c;a++)this.molecules[a].check(!0), +this.molecules[a].draw(b,this.specs);a=0;for(c=this.shapes.length;a<c;a++)this.shapes[a].draw(b,this.specs);b.restore()}else this.emptyMessage&&(b.fillStyle="#737683",b.textAlign="center",b.textBaseline="middle",b.font="18px Helvetica, Verdana, Arial, Sans-serif",b.fillText(this.emptyMessage,this.width/2,this.height/2));this.drawChildExtras&&this.drawChildExtras(b)}}};b._Canvas.prototype.resize=function(a,b){var c=d("#"+this.id);c.attr({width:a,height:b});c.css("width",a);c.css("height",b);this.width= +a;this.height=b;if(this instanceof ChemDoodle._Canvas3D)this.gl.viewport(0,0,a,b),this.setupScene();else if(0<this.molecules.length){this.center();for(var c=0,f=this.molecules.length;c<f;c++)this.molecules[c].check()}this.repaint()};b._Canvas.prototype.setBackgroundImage=function(a){this.image=new Image;var b=this;this.image.onload=function(){b.repaint()};this.image.src=a};b._Canvas.prototype.loadMolecule=function(a){this.clear();this.molecules.push(a);this.center();this instanceof ChemDoodle._Canvas3D|| +a.check();this.afterLoadContent&&this.afterLoadContent();this.repaint()};b._Canvas.prototype.loadContent=function(a,b){this.molecules=a;this.shapes=b;this.center();if(!(this instanceof ChemDoodle._Canvas3D))for(var c=0,d=this.molecules.length;c<d;c++)this.molecules[c].check();this.afterLoadContent&&this.afterLoadContent();this.repaint()};b._Canvas.prototype.addMolecule=function(a){this.molecules.push(a);this instanceof ChemDoodle._Canvas3D||a.check();this.repaint()};b._Canvas.prototype.removeMolecule= +function(a){this.molecules=d.grep(this.molecules,function(b){return b!==a});this.repaint()};b._Canvas.prototype.getMolecule=function(){return 0<this.molecules.length?this.molecules[0]:void 0};b._Canvas.prototype.getMolecules=function(){return this.molecules};b._Canvas.prototype.addShape=function(a){this.shapes.push(a);this.repaint()};b._Canvas.prototype.removeShape=function(a){this.shapes=d.grep(this.shapes,function(b){return b!==a});this.repaint()};b._Canvas.prototype.getShapes=function(){return this.shapes}; +b._Canvas.prototype.clear=function(){this.molecules=[];this.shapes=[];this.specs.scale=1;this.repaint()};b._Canvas.prototype.center=function(){for(var a=this.getContentBounds(),b=new c.Point((this.width-a.minX-a.maxX)/2,(this.height-a.minY-a.maxY)/2),d=0,f=this.molecules.length;d<f;d++)for(var e=this.molecules[d],h=0,m=e.atoms.length;h<m;h++)e.atoms[h].add(b);d=0;for(f=this.shapes.length;d<f;d++){e=this.shapes[d].getPoints();h=0;for(m=e.length;h<m;h++)e[h].add(b)}this.specs.scale=1;b=a.maxX-a.minX; +a=a.maxY-a.minY;if(b>this.width||a>this.height)this.specs.scale=0.85*g.min(this.width/b,this.height/a)};b._Canvas.prototype.bondExists=function(a,b){for(var c=0,d=this.molecules.length;c<d;c++)for(var f=this.molecules[c],e=0,g=f.bonds.length;e<g;e++){var h=f.bonds[e];if(h.contains(a)&&h.contains(b))return!0}return!1};b._Canvas.prototype.getBond=function(a,b){for(var c=0,d=this.molecules.length;c<d;c++)for(var f=this.molecules[c],e=0,g=f.bonds.length;e<g;e++){var h=f.bonds[e];if(h.contains(a)&&h.contains(b))return h}}; +b._Canvas.prototype.getMoleculeByAtom=function(a){for(var b=0,c=this.molecules.length;b<c;b++){var d=this.molecules[b];if(-1!==q(a,d.atoms))return d}};b._Canvas.prototype.getAllAtoms=function(){for(var a=[],b=0,c=this.molecules.length;b<c;b++)a=a.concat(this.molecules[b].atoms);return a};b._Canvas.prototype.getAllPoints=function(){for(var a=[],b=0,c=this.molecules.length;b<c;b++)a=a.concat(this.molecules[b].atoms);b=0;for(c=this.shapes.length;b<c;b++)a=a.concat(this.shapes[b].getPoints());return a}; +b._Canvas.prototype.getContentBounds=function(){for(var b=new a.Bounds,c=0,d=this.molecules.length;c<d;c++)b.expand(this.molecules[c].getBounds());c=0;for(d=this.shapes.length;c<d;c++)b.expand(this.shapes[c].getBounds());return b};b._Canvas.prototype.create=function(a,l,q){this.id=a;this.width=l;this.height=q;this.molecules=[];this.shapes=[];if(o.getElementById(a)){var r=d("#"+a);l?r.attr("width",l):this.width=r.attr("width");q?r.attr("height",q):this.height=r.attr("height");r.attr("class","ChemDoodleWebComponent")}else{if(!b.featureDetection.supports_canvas_text()&& +f.msie&&"6"<=f.version){o.writeln('<div style="border: 1px solid black;" width="'+l+'" height="'+q+'">Please install <a href="http://code.google.com/chrome/chromeframe/">Google Chrome Frame</a>, then restart Internet Explorer.</div>');return}o.writeln('<canvas class="ChemDoodleWebComponent" id="'+a+'" width="'+l+'" height="'+q+'" alt="ChemDoodle Web Component">This browser does not support HTML5/Canvas.</canvas>')}a=d("#"+a);a.css("width",this.width);a.css("height",this.height);this.pixelRatio=m.devicePixelRatio? +m.devicePixelRatio:1;this.specs=new c.VisualSpecifications;var k=this;e.supports_touch()?(a.bind("touchstart",function(a){var b=(new Date).getTime();if(!e.supports_gesture()&&2===a.originalEvent.touches.length){var d=a.originalEvent.touches,f=new c.Point(d[0].pageX,d[0].pageY),d=new c.Point(d[1].pageX,d[1].pageY);k.implementedGestureDist=f.distance(d);k.implementedGestureAngle=f.angle(d);k.gesturestart&&(k.prehandleEvent(a),k.gesturestart(a))}k.lastTouch&&1===a.originalEvent.touches.length&&500>b- +k.lastTouch?k.dbltap?(k.prehandleEvent(a),k.dbltap(a)):k.dblclick?(k.prehandleEvent(a),k.dblclick(a)):k.touchstart?(k.prehandleEvent(a),k.touchstart(a)):k.mousedown&&(k.prehandleEvent(a),k.mousedown(a)):k.touchstart?(k.prehandleEvent(a),k.touchstart(a),this.hold&&clearTimeout(this.hold),this.touchhold&&(this.hold=setTimeout(function(){k.touchhold(a)},1E3))):k.mousedown&&(k.prehandleEvent(a),k.mousedown(a));k.lastTouch=b}),a.bind("touchmove",function(a){this.hold&&(clearTimeout(this.hold),this.hold= +void 0);if(!e.supports_gesture()&&2===a.originalEvent.touches.length&&k.gesturechange){var b=a.originalEvent.touches,d=new c.Point(b[0].pageX,b[0].pageY),f=new c.Point(b[1].pageX,b[1].pageY),b=d.distance(f),d=d.angle(f);a.originalEvent.scale=b/k.implementedGestureDist;a.originalEvent.rotation=180*(k.implementedGestureAngle-d)/g.PI;k.prehandleEvent(a);k.gesturechange(a)}if(1<a.originalEvent.touches.length&&k.multitouchmove){d=a.originalEvent.touches.length;k.prehandleEvent(a);b=new c.Point(-a.offset.left* +d,-a.offset.top*d);for(f=0;f<d;f++)b.x+=a.originalEvent.changedTouches[f].pageX,b.y+=a.originalEvent.changedTouches[f].pageY;b.x/=d;b.y/=d;a.p=b;k.multitouchmove(a,d)}else k.touchmove?(k.prehandleEvent(a),k.touchmove(a)):k.drag&&(k.prehandleEvent(a),k.drag(a))}),a.bind("touchend",function(a){this.hold&&(clearTimeout(this.hold),this.hold=void 0);!e.supports_gesture()&&k.implementedGestureDist&&(k.implementedGestureDist=void 0,k.implementedGestureAngle=void 0,k.gestureend&&(k.prehandleEvent(a),k.gestureend(a))); +k.touchend?(k.prehandleEvent(a),k.touchend(a)):k.mouseup&&(k.prehandleEvent(a),k.mouseup(a));250>(new Date).getTime()-k.lastTouch&&(k.tap?(k.prehandleEvent(a),k.tap(a)):k.click&&(k.prehandleEvent(a),k.click(a)))}),a.bind("gesturestart",function(a){k.gesturestart&&(k.prehandleEvent(a),k.gesturestart(a))}),a.bind("gesturechange",function(a){k.gesturechange&&(k.prehandleEvent(a),k.gesturechange(a))}),a.bind("gestureend",function(a){k.gestureend&&(k.prehandleEvent(a),k.gestureend(a))})):(a.click(function(a){switch(a.which){case 1:k.click&& +(k.prehandleEvent(a),k.click(a));break;case 2:k.middleclick&&(k.prehandleEvent(a),k.middleclick(a));break;case 3:k.rightclick&&(k.prehandleEvent(a),k.rightclick(a))}}),a.dblclick(function(a){k.dblclick&&(k.prehandleEvent(a),k.dblclick(a))}),a.mousedown(function(a){switch(a.which){case 1:h.CANVAS_DRAGGING=k;k.mousedown&&(k.prehandleEvent(a),k.mousedown(a));break;case 2:k.middlemousedown&&(k.prehandleEvent(a),k.middlemousedown(a));break;case 3:k.rightmousedown&&(k.prehandleEvent(a),k.rightmousedown(a))}}), +a.mousemove(function(a){!h.CANVAS_DRAGGING&&k.mousemove&&(k.prehandleEvent(a),k.mousemove(a))}),a.mouseout(function(a){h.CANVAS_OVER=void 0;k.mouseout&&(k.prehandleEvent(a),k.mouseout(a))}),a.mouseover(function(a){h.CANVAS_OVER=k;k.mouseover&&(k.prehandleEvent(a),k.mouseover(a))}),a.mouseup(function(a){switch(a.which){case 1:k.mouseup&&(k.prehandleEvent(a),k.mouseup(a));break;case 2:k.middlemouseup&&(k.prehandleEvent(a),k.middlemouseup(a));break;case 3:k.rightmouseup&&(k.prehandleEvent(a),k.rightmouseup(a))}}), +a.mousewheel(function(a,b){k.mousewheel&&(k.prehandleEvent(a),k.mousewheel(a,b))}));this.subCreate&&this.subCreate()};b._Canvas.prototype.prehandleEvent=function(a){a.originalEvent.changedTouches&&(a.pageX=a.originalEvent.changedTouches[0].pageX,a.pageY=a.originalEvent.changedTouches[0].pageY);a.preventDefault();a.offset=d("#"+this.id).offset();a.p=new c.Point(a.pageX-a.offset.left,a.pageY-a.offset.top)}})(ChemDoodle,ChemDoodle.featureDetection,ChemDoodle.math,ChemDoodle.monitor,ChemDoodle.structures, +jQuery,jQuery.browser,jQuery.inArray,Math,document,window); +(function(b){b._AnimatorCanvas=function(b,a,h){b&&this.create(b,a,h);this.timeout=33;return!0};b._AnimatorCanvas.prototype=new b._Canvas;b._AnimatorCanvas.prototype.startAnimation=function(){this.stopAnimation();this.lastTime=(new Date).getTime();var b=this;this.nextFrame&&(this.handle=setInterval(function(){var a=(new Date).getTime();b.nextFrame(a-b.lastTime);b.repaint();b.lastTime=a},this.timeout))};b._AnimatorCanvas.prototype.stopAnimation=function(){this.handle&&(clearInterval(this.handle),this.handle= +void 0)};b._AnimatorCanvas.prototype.isRunning=function(){return void 0!==this.handle}})(ChemDoodle); +(function(b,e){b.FileCanvas=function(a,b,c,d){a&&this.create(a,b,c);e.writeln('<br><form name="FileForm" enctype="multipart/form-data" method="POST" action="'+d+'" target="HiddenFileFrame"><input type="file" name="f" /><input type="submit" name="submitbutton" value="Show File" /></form><iframe id="HFF-'+a+'" name="HiddenFileFrame" height="0" width="0" style="display:none;" onLoad="GetMolFromFrame(\'HFF-'+a+"', "+a+')"></iframe>');this.emptyMessage="Click below to load file";this.repaint();return!0}; +b.FileCanvas.prototype=new b._Canvas})(ChemDoodle,document); +(function(b){b.HyperlinkCanvas=function(b,a,h,c,d,f){b&&this.create(b,a,h);this.urlOrFunction=c;this.color=d?d:"blue";this.size=f?f:2;this.openInNewWindow=!0;this.e=this.hoverImage=void 0;return!0};b.HyperlinkCanvas.prototype=new b._Canvas;b.HyperlinkCanvas.prototype.drawChildExtras=function(b){this.e&&(this.hoverImage?b.drawImage(this.hoverImage,0,0):(b.strokeStyle=this.color,b.lineWidth=2*this.size,b.strokeRect(0,0,this.width,this.height)))};b.HyperlinkCanvas.prototype.setHoverImage=function(b){this.hoverImage= +new Image;this.hoverImage.src=b};b.HyperlinkCanvas.prototype.click=function(){this.e=void 0;this.repaint();this.urlOrFunction instanceof Function?this.urlOrFunction():this.openInNewWindow?window.open(this.urlOrFunction):location.href=this.urlOrFunction};b.HyperlinkCanvas.prototype.mouseout=function(){this.e=void 0;this.repaint()};b.HyperlinkCanvas.prototype.mouseover=function(b){this.e=b;this.repaint()}})(ChemDoodle); +(function(b,e,a,h){b.MolGrabberCanvas=function(b,d,f){b&&this.create(b,d,f);d=[];d.push('<br><input type="text" id="');d.push(b);d.push('_query" size="32" value="" />');d.push("<br><nobr>");d.push('<select id="');d.push(b);d.push('_select">');d.push('<option value="chemexper">ChemExper');d.push('<option value="chemspider">ChemSpider');d.push('<option value="pubchem" selected>PubChem');d.push("</select>");d.push('<button id="');d.push(b);d.push('_submit">Show Molecule</button>');d.push("</nobr>"); +h.getElementById(b);a("#"+b).after(d.join(""));var e=this;a("#"+b+"_submit").click(function(){e.search()});a("#"+b+"_query").keypress(function(a){13===a.which&&e.search()});this.emptyMessage="Enter search term below";this.repaint();return!0};b.MolGrabberCanvas.prototype=new b._Canvas;b.MolGrabberCanvas.prototype.setSearchTerm=function(b){a("#"+this.id+"_query").val(b);this.search()};b.MolGrabberCanvas.prototype.search=function(){this.emptyMessage="Searching...";this.clear();var b=this;e.getMoleculeFromDatabase(a("#"+ +this.id+"_query").val(),{database:a("#"+this.id+"_select").val()},function(a){b.loadMolecule(a)})}})(ChemDoodle,ChemDoodle.iChemLabs,jQuery,document); +(function(b,e,a){var h=[],c=[1,0,0],d=[0,1,0],f=[0,0,1];b.RotatorCanvas=function(a,b,c,d){a&&this.create(a,b,c);this.rotate3D=d;this.zIncrement=this.yIncrement=this.xIncrement=a=e.PI/15;return!0};b.RotatorCanvas.prototype=new b._AnimatorCanvas;b.RotatorCanvas.prototype.nextFrame=function(b){if(0===this.molecules.length&&0===this.shapes.length)this.stopAnimation();else if(b/=1E3,this.rotate3D){a.identity(h);a.rotate(h,this.xIncrement*b,c);a.rotate(h,this.yIncrement*b,d);a.rotate(h,this.zIncrement* +b,f);for(var b=0,e=this.molecules.length;b<e;b++){for(var o=this.molecules[b],m=0,j=o.atoms.length;m<j;m++){var l=o.atoms[m],n=[l.x-this.width/2,l.y-this.height/2,l.z];a.multiplyVec3(h,n);l.x=n[0]+this.width/2;l.y=n[1]+this.height/2;l.z=n[2]}m=0;for(j=o.rings.length;m<j;m++)o.rings[m].center=o.rings[m].getCenter();this.specs.atoms_display&&this.specs.atoms_circles_2D&&o.sortAtomsByZ();this.specs.bonds_display&&this.specs.bonds_clearOverlaps_2D&&o.sortBondsByZ()}b=0;for(e=this.shapes.length;b<e;b++){o= +this.shapes[b].getPoints();m=0;for(j=o.length;m<j;m++)l=o[m],n=[l.x-this.width/2,l.y-this.height/2,0],a.multiplyVec3(h,n),l.x=n[0]+this.width/2,l.y=n[1]+this.height/2}}else this.specs.rotateAngle+=this.zIncrement*b};b.RotatorCanvas.prototype.dblclick=function(){this.isRunning()?this.stopAnimation():this.startAnimation()}})(ChemDoodle,Math,mat4); +(function(b,e){b.SlideshowCanvas=function(a,b,c){a&&this.create(a,b,c);this.frames=[];this.curIndex=0;this.timeout=5E3;this.alpha=0;this.innerHandle=void 0;this.phase=0;return!0};b.SlideshowCanvas.prototype=new b._AnimatorCanvas;b.SlideshowCanvas.prototype.drawChildExtras=function(a){var b=e.getRGB(this.specs.backgroundColor,255);a.fillStyle="rgba("+b[0]+", "+b[1]+", "+b[2]+", "+this.alpha+")";a.fillRect(0,0,this.width,this.height)};b.SlideshowCanvas.prototype.nextFrame=function(){if(0===this.frames.length)this.stopAnimation(); +else{this.phase=0;var a=this,b=1;this.innerHandle=setInterval(function(){a.alpha=b/15;a.repaint();15===b&&a.breakInnerHandle();b++},33)}};b.SlideshowCanvas.prototype.breakInnerHandle=function(){this.innerHandle&&(clearInterval(this.innerHandle),this.innerHandle=void 0);if(0===this.phase){this.curIndex++;this.curIndex>this.frames.length-1&&(this.curIndex=0);this.alpha=1;var a=this.frames[this.curIndex];this.loadContent(a.mols,a.shapes);this.phase=1;var b=this,c=1;this.innerHandle=setInterval(function(){b.alpha= +(15-c)/15;b.repaint();c===15&&b.breakInnerHandle();c++},33)}else 1===this.phase&&(this.alpha=0,this.repaint())};b.SlideshowCanvas.prototype.addFrame=function(a,b){0===this.frames.length&&this.loadContent(a,b);this.frames.push({mols:a,shapes:b})}})(ChemDoodle,ChemDoodle.math); +(function(b,e,a,h,c){b.TransformCanvas=function(a,b,c,e){a&&this.create(a,b,c);this.lastPoint=void 0;this.rotate3D=e;this.rotationMultMod=1.3;this.lastPinchScale=1;this.lastGestureRotate=0;return!0};b.TransformCanvas.prototype=new b._Canvas;b.TransformCanvas.prototype.mousedown=function(a){this.lastPoint=a.p};b.TransformCanvas.prototype.dblclick=function(){this.center();this.repaint()};b.TransformCanvas.prototype.drag=function(b){if(!this.lastPoint.multi){if(e.ALT){var f=new a.Point(b.p.x,b.p.y); +f.sub(this.lastPoint);for(var q=0,g=this.molecules.length;q<g;q++){for(var o=this.molecules[q],m=0,j=o.atoms.length;m<j;m++)o.atoms[m].add(f);o.check()}q=0;for(g=this.shapes.length;q<g;q++){o=this.shapes[q].getPoints();m=0;for(j=o.length;m<j;m++)o[m].add(f)}this.lastPoint=b.p}else if(!0===this.rotate3D){j=h.max(this.width/4,this.height/4);m=(b.p.x-this.lastPoint.x)/j*this.rotationMultMod;j=-(b.p.y-this.lastPoint.y)/j*this.rotationMultMod;f=[];c.identity(f);c.rotate(f,j,[1,0,0]);c.rotate(f,m,[0,1, +0]);q=0;for(g=this.molecules.length;q<g;q++){o=this.molecules[q];m=0;for(j=o.atoms.length;m<j;m++)q=o.atoms[m],g=[q.x-this.width/2,q.y-this.height/2,q.z],c.multiplyVec3(f,g),q.x=g[0]+this.width/2,q.y=g[1]+this.height/2,q.z=g[2];q=0;for(g=o.rings.length;q<g;q++)o.rings[q].center=o.rings[q].getCenter();this.lastPoint=b.p;this.specs.atoms_display&&this.specs.atoms_circles_2D&&o.sortAtomsByZ();this.specs.bonds_display&&this.specs.bonds_clearOverlaps_2D&&o.sortBondsByZ()}}else m=new a.Point(this.width/ +2,this.height/2),j=m.angle(this.lastPoint),this.specs.rotateAngle-=m.angle(b.p)-j,this.lastPoint=b.p;this.repaint()}};b.TransformCanvas.prototype.mousewheel=function(a,b){this.specs.scale+=b/10;0.01>this.specs.scale&&(this.specs.scale=0.01);this.repaint()};b.TransformCanvas.prototype.multitouchmove=function(b,c){if(2===c)if(this.lastPoint.multi){var e=new a.Point(b.p.x,b.p.y);e.sub(this.lastPoint);for(var g=0,h=this.molecules.length;g<h;g++){for(var m=this.molecules[g],j=0,l=m.atoms.length;j<l;j++)m.atoms[j].add(e); +m.check()}g=0;for(h=this.shapes.length;g<h;g++){m=this.shapes[g].getPoints();j=0;for(l=m.length;j<l;j++)m[j].add(e)}this.lastPoint=b.p;this.lastPoint.multi=!0;this.repaint()}else this.lastPoint=b.p,this.lastPoint.multi=!0};b.TransformCanvas.prototype.gesturechange=function(b){0!==b.originalEvent.scale-this.lastPinchScale&&(this.specs.scale*=b.originalEvent.scale/this.lastPinchScale,0.01>this.specs.scale&&(this.specs.scale=0.01),this.lastPinchScale=b.originalEvent.scale);if(0!==this.lastGestureRotate- +b.originalEvent.rotation){for(var c=(this.lastGestureRotate-b.originalEvent.rotation)/180*m.PI,e=new a.Point(this.width/2,this.height/2),g=0,h=this.molecules.length;g<h;g++){for(var m=this.molecules[g],j=0,l=m.atoms.length;j<l;j++){var n=m.atoms[j],r=e.distance(n),k=e.angle(n)+c;n.x=e.x+r*m.cos(k);n.y=e.y-r*m.sin(k)}m.check()}this.lastGestureRotate=b.originalEvent.rotation}this.repaint()};b.TransformCanvas.prototype.gestureend=function(){this.lastPinchScale=1;this.lastGestureRotate=0}})(ChemDoodle, +ChemDoodle.monitor,ChemDoodle.structures,Math,mat4);(function(b){b.ViewerCanvas=function(b,a,h){b&&this.create(b,a,h);return!0};b.ViewerCanvas.prototype=new b._Canvas})(ChemDoodle); +(function(b){b._SpectrumCanvas=function(b,a,h){b&&this.create(b,a,h);this.spectrum=void 0;this.emptyMessage="No Spectrum Loaded or Recognized";this.getMolecule=this.loadMolecule=void 0;return!0};b._SpectrumCanvas.prototype=new b._Canvas;b._SpectrumCanvas.prototype.innerRepaint=function(b){this.spectrum&&0<this.spectrum.data.length?this.spectrum.draw(b,this.specs,this.width,this.height):this.emptyMessage&&(b.fillStyle="#737683",b.textAlign="center",b.textBaseline="middle",b.font="18px Helvetica, Verdana, Arial, Sans-serif", +b.fillText(this.emptyMessage,this.width/2,this.height/2))};b._SpectrumCanvas.prototype.loadSpectrum=function(b){this.spectrum=b;this.repaint()};b._SpectrumCanvas.prototype.getSpectrum=function(){return this.spectrum};b._SpectrumCanvas.prototype.getSpectrumCoordinates=function(b,a){return spectrum.getInternalCoordinates(b,a,this.width,this.height)}})(ChemDoodle,document);(function(b){b.ObserverCanvas=function(b,a,h){b&&this.create(b,a,h);return!0};b.ObserverCanvas.prototype=new b._SpectrumCanvas})(ChemDoodle); +(function(b){b.OverlayCanvas=function(b,a,h){b&&this.create(b,a,h);this.overlaySpectra=[];return!0};b.OverlayCanvas.prototype=new b._SpectrumCanvas;b.OverlayCanvas.prototype.superRepaint=b.OverlayCanvas.prototype.innerRepaint;b.OverlayCanvas.prototype.innerRepaint=function(b){this.superRepaint(b);if(this.spectrum&&0<this.spectrum.data.length)for(var a=0,h=this.overlaySpectra.length;a<h;a++){var c=this.overlaySpectra[a];c&&0<c.data.length&&(c.minX=this.spectrum.minX,c.maxX=this.spectrum.maxX,c.drawPlot(b, +this.specs,this.width,this.height,this.spectrum.memory.offsetTop,this.spectrum.memory.offsetLeft,this.spectrum.memory.offsetBottom))}};b.OverlayCanvas.prototype.addSpectrum=function(b){this.spectrum?this.overlaySpectra.push(b):this.spectrum=b}})(ChemDoodle); +(function(b,e,a){b.PerspectiveCanvas=function(a,b,d){a&&this.create(a,b,d);this.dragRange=void 0;this.rescaleYAxisOnZoom=!0;this.lastPinchScale=1;return!0};b.PerspectiveCanvas.prototype=new b._SpectrumCanvas;b.PerspectiveCanvas.prototype.mousedown=function(a){this.dragRange=new b.structures.Point(a.p.x,a.p.x)};b.PerspectiveCanvas.prototype.mouseup=function(a){this.dragRange&&this.dragRange.x!==this.dragRange.y&&(this.dragRange.multi||(a=this.spectrum.zoom(this.dragRange.x,a.p.x,this.width,this.rescaleYAxisOnZoom), +this.rescaleYAxisOnZoom&&(this.specs.scale=a)),this.dragRange=void 0,this.repaint())};b.PerspectiveCanvas.prototype.drag=function(a){this.dragRange&&(this.dragRange.multi?this.dragRange=void 0:(e.SHIFT&&(this.spectrum.translate(a.p.x-this.dragRange.x,this.width),this.dragRange.x=a.p.x),this.dragRange.y=a.p.x),this.repaint())};b.PerspectiveCanvas.prototype.drawChildExtras=function(b){if(this.dragRange){var c=a.min(this.dragRange.x,this.dragRange.y),d=a.max(this.dragRange.x,this.dragRange.y);b.strokeStyle= +"gray";b.lineStyle=1;b.beginPath();for(b.moveTo(c,this.height/2);c<=d;c++)5>c%10?b.lineTo(c,a.round(this.height/2)):b.moveTo(c,a.round(this.height/2));b.stroke()}};b.PerspectiveCanvas.prototype.mousewheel=function(a,b){this.specs.scale+=b/10;0.01>this.specs.scale&&(this.specs.scale=0.01);this.repaint()};b.PerspectiveCanvas.prototype.dblclick=function(){this.spectrum.setup();this.specs.scale=1;this.repaint()};b.PerspectiveCanvas.prototype.multitouchmove=function(a,c){2===c&&(!this.dragRange||!this.dragRange.multi? +(this.dragRange=new b.structures.Point(a.p.x,a.p.x),this.dragRange.multi=!0):(this.spectrum.translate(a.p.x-this.dragRange.x,this.width),this.dragRange.x=a.p.x,this.dragRange.y=a.p.x,this.repaint()))};b.PerspectiveCanvas.prototype.gesturechange=function(a){this.specs.scale*=a.originalEvent.scale/this.lastPinchScale;0.01>this.specs.scale&&(this.specs.scale=0.01);this.lastPinchScale=a.originalEvent.scale;this.repaint()};b.PerspectiveCanvas.prototype.gestureend=function(){this.lastPinchScale=1}})(ChemDoodle, +ChemDoodle.monitor,Math); +(function(b,e){b.SeekerCanvas=function(a,b,c,d){a&&this.create(a,b,c);this.seekType=d;this.p=void 0;return!0};b.SeekerCanvas.prototype=new b._SpectrumCanvas;b.SeekerCanvas.prototype.superRepaint=b.SeekerCanvas.prototype.innerRepaint;b.SeekerCanvas.prototype.innerRepaint=function(a){this.superRepaint(a);if(this.spectrum&&0<this.spectrum.data.length&&this.p){var h,c;if(this.seekType===b.SeekerCanvas.SEEK_POINTER)h=this.p,c=this.spectrum.getInternalCoordinates(h.x,h.y);else if(this.seekType===b.SeekerCanvas.SEEK_PLOT|| +this.seekType===b.SeekerCanvas.SEEK_PEAK){c=this.seekType===b.SeekerCanvas.SEEK_PLOT?this.spectrum.getClosestPlotInternalCoordinates(this.p.x):this.spectrum.getClosestPeakInternalCoordinates(this.p.x);if(!c)return;h={x:this.spectrum.getTransformedX(c.x,this.specs,this.width,this.spectrum.memory.offsetLeft),y:this.spectrum.getTransformedY(c.y/100,this.specs,this.height,this.spectrum.memory.offsetBottom,this.spectrum.memory.offsetTop)}}a.fillStyle="white";a.strokeStyle=this.specs.plots_color;a.lineWidth= +this.specs.plots_width;a.beginPath();a.arc(h.x,h.y,3,0,2*e.PI,!1);a.fill();a.stroke();a.font=this.specs.getFontString(this.specs.text_font_size,this.specs.text_font_families);a.textAlign="left";a.textBaseline="bottom";c="x:"+c.x.toFixed(3)+", y:"+c.y.toFixed(3);var d=h.x+3,f=a.measureText(c).width;d+f>this.width-2&&(d-=6+f);h=h.y;0>h-this.specs.text_font_size-2&&(h+=this.specs.text_font_size);a.fillRect(d,h-this.specs.text_font_size,f,this.specs.text_font_size);a.fillStyle="black";a.fillText(c,d, +h)}};b.SeekerCanvas.prototype.mouseout=function(){this.p=void 0;this.repaint()};b.SeekerCanvas.prototype.mousemove=function(a){this.p={x:a.p.x-2,y:a.p.y-3};this.repaint()};b.SeekerCanvas.prototype.touchstart=function(a){this.mousemove(a)};b.SeekerCanvas.prototype.touchmove=function(a){this.mousemove(a)};b.SeekerCanvas.prototype.touchend=function(a){this.mouseout(a)};b.SeekerCanvas.SEEK_POINTER="pointer";b.SeekerCanvas.SEEK_PLOT="plot";b.SeekerCanvas.SEEK_PEAK="peak"})(ChemDoodle,Math); +(function(b,e,a,h,c,d,f,q,g,o,m){b._Canvas3D=function(a,b,c){a&&this.create(a,b,c);this.rotationMatrix=g.identity([]);this.translationMatrix=g.identity([]);this.lastPoint=void 0;this.emptyMessage="WebGL is Unavailable!";return!0};b._Canvas3D.prototype=new b._Canvas;b._Canvas3D.prototype.afterLoadContent=function(){for(var b=new a.Bounds,c=0,d=this.molecules.length;c<d;c++)b.expand(this.molecules[c].getBounds());this.maxDimension=f.max(b.maxX-b.minX,b.maxY-b.minY);this.translationMatrix=g.translate(g.identity([]), +[0,0,-this.maxDimension-10]);this.setupScene()};b._Canvas3D.prototype.setViewDistance=function(a){this.translationMatrix=g.translate(g.identity([]),[0,0,-a])};b._Canvas3D.prototype.repaint=function(){if(this.gl){this.gl.clear(this.gl.COLOR_BUFFER_BIT|this.gl.DEPTH_BUFFER_BIT);this.gl.modelViewMatrix=g.multiply(this.translationMatrix,this.rotationMatrix,[]);this.gl.rotationMatrix=this.rotationMatrix;for(var a=0,b=this.molecules.length;a<b;a++)this.molecules[a].render(this.gl,this.specs);a=0;for(b= +this.shapes.length;a<b;a++)this.shapes[a].render(this.gl,this.specs);this.gl.flush()}};b._Canvas3D.prototype.center=function(){q.getElementById(this.id);for(var a=new h.Atom,b=0,c=this.molecules.length;b<c;b++){var d=this.molecules[b];a.add3D(d.getCenter3D())}a.x/=this.molecules.length;a.y/=this.molecules.length;b=0;for(c=this.molecules.length;b<c;b++){for(var d=this.molecules[b],f=0,e=d.atoms.length;f<e;f++)d.atoms[f].sub3D(a);if(d.chains&&d.fromJSON){f=0;for(e=d.chains.length;f<e;f++)for(var g= +d.chains[f],m=0,o=g.length;m<o;m++){var w=g[m];w.cp1.sub3D(a);w.cp2.sub3D(a);w.cp3&&(w.cp3.sub3D(a),w.cp4.sub3D(a),w.cp5.sub3D(a))}}}};b._Canvas3D.prototype.subCreate=function(){try{var a=q.getElementById(this.id);this.gl=a.getContext("webgl");this.gl||(this.gl=a.getContext("experimental-webgl"))}catch(b){}this.gl?(this.gl.viewport(0,0,this.width,this.height),this.gl.program=this.gl.createProgram(),this.gl.shader=new c.Shader,this.gl.shader.init(this.gl),this.setupScene()):this.displayMessage()}; +b._Canvas.prototype.displayMessage=function(){var a=q.getElementById(this.id);if(a.getContext&&(a=a.getContext("2d"),this.specs.backgroundColor&&(a.fillStyle=this.specs.backgroundColor,a.fillRect(0,0,this.width,this.height)),this.emptyMessage))a.fillStyle="#737683",a.textAlign="center",a.textBaseline="middle",a.font="18px Helvetica, Verdana, Arial, Sans-serif",a.fillText(this.emptyMessage,this.width/2,this.height/2)};b._Canvas3D.prototype.setupScene=function(){if(this.gl){var b=a.getRGB(this.specs.backgroundColor, +1);this.gl.clearColor(b[0],b[1],b[2],1);this.gl.clearDepth(1);this.gl.enable(this.gl.DEPTH_TEST);this.gl.depthFunc(this.gl.LEQUAL);this.gl.sphereBuffer=new c.Sphere(1,this.specs.atoms_resolution_3D,this.specs.atoms_resolution_3D);this.gl.starBuffer=new c.Star;this.gl.cylinderBuffer=new c.Cylinder(1,1,this.specs.bonds_resolution_3D);this.gl.lineBuffer=new c.Line;for(var b=0,h=this.molecules.length;b<h;b++){var q=this.molecules[b];q.unitCellVectors&&(q.unitCell=new c.UnitCell(q.unitCellVectors));if(q.chains){q.ribbons= +[];q.cartoons=[];q.tubes=[];for(var r=0,k=q.chains.length;r<k;r++){var v=q.chains[r],x=2<v.length&&d[v[2].name]&&"#BEA06E"===d[v[2].name].aminoColor;if(0<v.length&&!v[0].lineSegments){for(var t=0,y=v.length-1;t<y;t++)v[t].setup(v[t+1].cp1,x?1:this.specs.proteins_horizontalResolution);if(!x){t=1;for(y=v.length-1;t<y;t++)e.vec3AngleFrom(v[t-1].D,v[t].D)>f.PI/2&&(v[t].guidePointsSmall.reverse(),v[t].guidePointsLarge.reverse(),m.scale(v[t].D,-1))}t=1;for(y=v.length-3;t<y;t++)v[t].computeLineSegments(v[t- +1],v[t+1],v[t+2],!x,x?this.specs.nucleics_verticalResolution:this.specs.proteins_verticalResolution);v.pop();v.pop();v.pop();v.shift()}var w=a.hsl2rgb(1===k?0.5:r/k,1,0.5),w="rgb("+w[0]+","+w[1]+","+w[2]+")";v.chainColor=w;if(x)v=new c.Tube(v,this.specs.nucleics_tubeThickness,this.specs.nucleics_tubeResolution_3D),v.chainColor=w,q.tubes.push(v);else{x={front:new c.Ribbon(v,this.specs.proteins_ribbonThickness,!1),back:new c.Ribbon(v,-this.specs.proteins_ribbonThickness,!1)};x.front.chainColor=w;x.back.chainColor= +w;t=0;for(y=x.front.segments.length;t<y;t++)x.front.segments[t].chainColor=w;t=0;for(y=x.back.segments.length;t<y;t++)x.back.segments[t].chainColor=w;q.ribbons.push(x);v={front:new c.Ribbon(v,this.specs.proteins_ribbonThickness,!0),back:new c.Ribbon(v,-this.specs.proteins_ribbonThickness,!0)};v.front.chainColor=w;v.back.chainColor=w;t=0;for(y=v.front.segments.length;t<y;t++)v.front.segments[t].chainColor=w;t=0;for(y=v.back.segments.length;t<y;t++)v.back.segments[t].chainColor=w;t=0;for(y=v.front.cartoonSegments.length;t< +y;t++)v.front.cartoonSegments[t].chainColor=w;t=0;for(y=v.back.cartoonSegments.length;t<y;t++)v.back.cartoonSegments[t].chainColor=w;q.cartoons.push(v)}}}}this.gl.lighting=new c.Light(this.specs.lightDiffuseColor_3D,this.specs.lightSpecularColor_3D,this.specs.lightDirection_3D);this.gl.lighting.lightScene(this.gl);this.gl.material=new c.Material(this.gl);b=this.width/this.height;this.specs.projectionWidthHeightRatio_3D&&(b=this.specs.projectionWidthHeightRatio_3D);this.gl.projectionMatrix=this.specs.projectionPerspective_3D? +g.perspective(this.specs.projectionPerspectiveVerticalFieldOfView_3D,b,this.specs.projectionFrontCulling_3D,this.specs.projectionBackCulling_3D):g.ortho(-this.specs.projectionOrthoWidth_3D/2,this.specs.projectionOrthoWidth_3D/2,-this.specs.projectionOrthoWidth_3D/2/b,this.specs.projectionOrthoWidth_3D/2/b,this.specs.projectionFrontCulling_3D,this.specs.projectionBackCulling_3D);this.gl.uniformMatrix4fv(this.gl.getUniformLocation(this.gl.program,"u_projection_matrix"),!1,this.gl.projectionMatrix); +var u=this.gl.getUniformLocation(this.gl.program,"u_model_view_matrix"),p=this.gl.getUniformLocation(this.gl.program,"u_normal_matrix");this.gl.setMatrixUniforms=function(a){this.uniformMatrix4fv(u,false,a);a=o.transpose(g.toInverseMat3(a,[]));this.uniformMatrix3fv(p,false,a)}}};b._Canvas3D.prototype.mousedown=function(a){this.lastPoint=a.p};b._Canvas3D.prototype.rightmousedown=function(a){this.lastPoint=a.p};b._Canvas3D.prototype.drag=function(a){if(b.monitor.ALT){var c=new h.Point(a.p.x,a.p.y); +c.sub(this.lastPoint);g.translate(this.translationMatrix,[c.x/20,-c.y/20,0])}else{var d=a.p.x-this.lastPoint.x,c=a.p.y-this.lastPoint.y,d=g.rotate(g.identity([]),d*f.PI/180,[0,1,0]);g.rotate(d,c*f.PI/180,[1,0,0]);this.rotationMatrix=g.multiply(d,this.rotationMatrix)}this.lastPoint=a.p;this.repaint()};b._Canvas3D.prototype.mousewheel=function(a,b){var c=b*this.maxDimension/8;this.specs.projectionPerspective_3D?g.translate(this.translationMatrix,[0,0,c]):(this.specs.projectionOrthoWidth_3D-=c,this.setupScene()); +this.repaint()}})(ChemDoodle,ChemDoodle.extensions,ChemDoodle.math,ChemDoodle.structures,ChemDoodle.structures.d3,ChemDoodle.RESIDUE,Math,document,mat4,mat3,vec3,window); +(function(b,e,a,h){b.MolGrabberCanvas3D=function(b,d,f){b&&this.create(b,d,f);d=[];d.push('<br><input type="text" id="');d.push(b);d.push('_query" size="32" value="" />');d.push("<br><nobr>");d.push('<select id="');d.push(b);d.push('_select">');d.push('<option value="pubchem" selected>PubChem');d.push("</select>");d.push('<button id="');d.push(b);d.push('_submit">Show Molecule</button>');d.push("</nobr>");h.writeln(d.join(""));var e=this;a("#"+b+"_submit").click(function(){e.search()});a("#"+b+"_query").keypress(function(a){13=== +a.which&&e.search()});return!0};b.MolGrabberCanvas3D.prototype=new b._Canvas3D;b.MolGrabberCanvas3D.prototype.setSearchTerm=function(b){a("#"+this.id+"_query").val(b);this.search()};b.MolGrabberCanvas3D.prototype.search=function(){var b=this;e.getMoleculeFromDatabase(a("#"+this.id+"_query").val(),{database:a("#"+this.id+"_select").val(),dimension:3},function(a){b.loadMolecule(a)})}})(ChemDoodle,ChemDoodle.iChemLabs,jQuery,document); +(function(b,e){b.MovieCanvas3D=function(a,b,c){a&&this.create(a,b,c);this.timeout=50;this.frames=[];this.frameNumber=0;this.playMode=2;this.reverse=!1;return!0};b.MovieCanvas3D.PLAY_ONCE=0;b.MovieCanvas3D.PLAY_LOOP=1;b.MovieCanvas3D.PLAY_SPRING=2;b.MovieCanvas3D.prototype=new b._Canvas3D;b.MovieCanvas3D.prototype.startAnimation=b._AnimatorCanvas.prototype.startAnimation;b.MovieCanvas3D.prototype.stopAnimation=b._AnimatorCanvas.prototype.stopAnimation;b.MovieCanvas3D.prototype.isRunning=b._AnimatorCanvas.prototype.isRunning; +b.MovieCanvas3D.prototype.dblclick=b.RotatorCanvas.prototype.dblclick;b.MovieCanvas3D.prototype.nextFrame=function(){var a=this.frames[this.frameNumber];this.molecules=a.mols;this.shapes=a.shapes;2===this.playMode&&this.reverse?(this.frameNumber--,0>this.frameNumber&&(this.frameNumber=1,this.reverse=!1)):(this.frameNumber++,this.frameNumber>=this.frames.length&&(2===this.playMode?(this.frameNumber-=2,this.reverse=!0):(this.frameNumber=0,0===this.playMode&&this.stopAnimation())))};b.MovieCanvas3D.prototype.center= +function(){for(var a=new e.Atom,b=this.frames[0],c=0,d=b.mols.length;c<d;c++)a.add3D(b.mols[c].getCenter3D());a.x/=b.mols.length;a.y/=b.mols.length;b=new e.Atom;b.sub3D(a);for(var a=0,f=this.frames.length;a<f;a++)for(var q=this.frames[a],c=0,d=q.mols.length;c<d;c++)for(var g=q.mols[c],o=0,m=g.atoms.length;o<m;o++)g.atoms[o].add3D(b)};b.MovieCanvas3D.prototype.addFrame=function(a,b){this.frames.push({mols:a,shapes:b})}})(ChemDoodle,ChemDoodle.structures); +(function(b,e,a){var h=[],c=[1,0,0],d=[0,1,0],f=[0,0,1];b.RotatorCanvas3D=function(a,b,c){a&&this.create(a,b,c);this.timeout=33;this.zIncrement=this.yIncrement=this.xIncrement=a=e.PI/15;return!0};b.RotatorCanvas3D.prototype=new b._Canvas3D;b.RotatorCanvas3D.prototype.startAnimation=b._AnimatorCanvas.prototype.startAnimation;b.RotatorCanvas3D.prototype.stopAnimation=b._AnimatorCanvas.prototype.stopAnimation;b.RotatorCanvas3D.prototype.isRunning=b._AnimatorCanvas.prototype.isRunning;b.RotatorCanvas3D.prototype.dblclick= +b.RotatorCanvas.prototype.dblclick;b.RotatorCanvas3D.prototype.mousedown=void 0;b.RotatorCanvas3D.prototype.rightmousedown=void 0;b.RotatorCanvas3D.prototype.drag=void 0;b.RotatorCanvas3D.prototype.mousewheel=void 0;b.RotatorCanvas3D.prototype.nextFrame=function(b){0===this.molecules.length&&0===this.shapes.length?this.stopAnimation():(a.identity(h),b/=1E3,a.rotate(h,this.xIncrement*b,c),a.rotate(h,this.yIncrement*b,d),a.rotate(h,this.zIncrement*b,f),a.multiply(this.rotationMatrix,h))}})(ChemDoodle, +Math,mat4);(function(b){b.TransformCanvas3D=function(b,a,h){b&&this.create(b,a,h);return!0};b.TransformCanvas3D.prototype=new b._Canvas3D})(ChemDoodle);(function(b){b.ViewerCanvas3D=function(b,a,h){b&&this.create(b,a,h);return!0};b.ViewerCanvas3D.prototype=new b._Canvas3D;b.ViewerCanvas3D.prototype.mousedown=void 0;b.ViewerCanvas3D.prototype.rightmousedown=void 0;b.ViewerCanvas3D.prototype.drag=void 0;b.ViewerCanvas3D.prototype.mousewheel=void 0})(ChemDoodle); 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this.helper||n.disabled||e(t.target).is(".ui-resizable-handle")?!1:(this.handle=this._getHandle(t),this.handle?(e(n.iframeFix===!0?"iframe":n.iframeFix).each(function(){e('<div class="ui-draggable-iframeFix" style="background: #fff;"></div>').css({width:this.offsetWidth+"px",height:this.offsetHeight+"px",position:"absolute",opacity:"0.001",zIndex:1e3}).css(e(this).offset()).appendTo("body")}),!0):!1)},_mouseStart:function(t){var n=this.options;return this.helper=this._createHelper(t),this.helper.addClass("ui-draggable-dragging"),this._cacheHelperProportions(),e.ui.ddmanager&&(e.ui.ddmanager.current=this),this._cacheMargins(),this.cssPosition=this.helper.css("position"),this.scrollParent=this.helper.scrollParent(),this.offset=this.positionAbs=this.element.offset(),this.offset={top:this.offset.top-this.margins.top,left:this.offset.left-this.margins.left},e.extend(this.offset,{click:{left:t.pageX-this.offset.left,top:t.pageY-this.offset.top},parent:this._getParentOffset(),relative:this._getRelativeOffset()}),this.originalPosition=this.position=this._generatePosition(t),this.originalPageX=t.pageX,this.originalPageY=t.pageY,n.cursorAt&&this._adjustOffsetFromHelper(n.cursorAt),n.containment&&this._setContainment(),this._trigger("start",t)===!1?(this._clear(),!1):(this._cacheHelperProportions(),e.ui.ddmanager&&!n.dropBehaviour&&e.ui.ddmanager.prepareOffsets(this,t),this._mouseDrag(t,!0),e.ui.ddmanager&&e.ui.ddmanager.dragStart(this,t),!0)},_mouseDrag:function(t,n){this.position=this._generatePosition(t),this.positionAbs=this._convertPositionTo("absolute");if(!n){var r=this._uiHash();if(this._trigger("drag",t,r)===!1)return this._mouseUp({}),!1;this.position=r.position}if(!this.options.axis||this.options.axis!="y")this.helper[0].style.left=this.position.left+"px";if(!this.options.axis||this.options.axis!="x")this.helper[0].style.top=this.position.top+"px";return e.ui.ddmanager&&e.ui.ddmanager.drag(this,t),!1},_mouseStop:function(t){var n=!1;e.ui.ddmanager&&!this.options.dropBehaviour&&(n=e.ui.ddmanager.drop(this,t)),this.dropped&&(n=this.dropped,this.dropped=!1);var r=this.element[0],i=!1;while(r&&(r=r.parentNode))r==document&&(i=!0);if(!i&&this.options.helper==="original")return!1;if(this.options.revert=="invalid"&&!n||this.options.revert=="valid"&&n||this.options.revert===!0||e.isFunction(this.options.revert)&&this.options.revert.call(this.element,n)){var s=this;e(this.helper).animate(this.originalPosition,parseInt(this.options.revertDuration,10),function(){s._trigger("stop",t)!==!1&&s._clear()})}else this._trigger("stop",t)!==!1&&this._clear();return!1},_mouseUp:function(t){return e("div.ui-draggable-iframeFix").each(function(){this.parentNode.removeChild(this)}),e.ui.ddmanager&&e.ui.ddmanager.dragStop(this,t),e.ui.mouse.prototype._mouseUp.call(this,t)},cancel:function(){return this.helper.is(".ui-draggable-dragging")?this._mouseUp({}):this._clear(),this},_getHandle:function(t){var n=!this.options.handle||!e(this.options.handle,this.element).length?!0:!1;return e(this.options.handle,this.element).find("*").andSelf().each(function(){this==t.target&&(n=!0)}),n},_createHelper:function(t){var n=this.options,r=e.isFunction(n.helper)?e(n.helper.apply(this.element[0],[t])):n.helper=="clone"?this.element.clone().removeAttr("id"):this.element;return r.parents("body").length||r.appendTo(n.appendTo=="parent"?this.element[0].parentNode:n.appendTo),r[0]!=this.element[0]&&!/(fixed|absolute)/.test(r.css("position"))&&r.css("position","absolute"),r},_adjustOffsetFromHelper:function(t){typeof t=="string"&&(t=t.split(" ")),e.isArray(t)&&(t={left:+t[0],top:+t[1]||0}),"left"in t&&(this.offset.click.left=t.left+this.margins.left),"right"in t&&(this.offset.click.left=this.helperProportions.width-t.right+this.margins.left),"top"in t&&(this.offset.click.top=t.top+this.margins.top),"bottom"in t&&(this.offset.click.top=this.helperProportions.height-t.bottom+this.margins.top)},_getParentOffset:function(){this.offsetParent=this.helper.offsetParent();var t=this.offsetParent.offset();this.cssPosition=="absolute"&&this.scrollParent[0]!=document&&e.contains(this.scrollParent[0],this.offsetParent[0])&&(t.left+=this.scrollParent.scrollLeft(),t.top+=this.scrollParent.scrollTop());if(this.offsetParent[0]==document.body||this.offsetParent[0].tagName&&this.offsetParent[0].tagName.toLowerCase()=="html"&&e.ui.ie)t={top:0,left:0};return{top:t.top+(parseInt(this.offsetParent.css("borderTopWidth"),10)||0),left:t.left+(parseInt(this.offsetParent.css("borderLeftWidth"),10)||0)}},_getRelativeOffset:function(){if(this.cssPosition=="relative"){var e=this.element.position();return{top:e.top-(parseInt(this.helper.css("top"),10)||0)+this.scrollParent.scrollTop(),left:e.left-(parseInt(this.helper.css("left"),10)||0)+this.scrollParent.scrollLeft()}}return{top:0,left:0}},_cacheMargins:function(){this.margins={left:parseInt(this.element.css("marginLeft"),10)||0,top:parseInt(this.element.css("marginTop"),10)||0,right:parseInt(this.element.css("marginRight"),10)||0,bottom:parseInt(this.element.css("marginBottom"),10)||0}},_cacheHelperProportions:function(){this.helperProportions={width:this.helper.outerWidth(),height:this.helper.outerHeight()}},_setContainment:function(){var t=this.options;t.containment=="parent"&&(t.containment=this.helper[0].parentNode);if(t.containment=="document"||t.containment=="window")this.containment=[t.containment=="document"?0:e(window).scrollLeft()-this.offset.relative.left-this.offset.parent.left,t.containment=="document"?0:e(window).scrollTop()-this.offset.relative.top-this.offset.parent.top,(t.containment=="document"?0:e(window).scrollLeft())+e(t.containment=="document"?document:window).width()-this.helperProportions.width-this.margins.left,(t.containment=="document"?0:e(window).scrollTop())+(e(t.containment=="document"?document:window).height()||document.body.parentNode.scrollHeight)-this.helperProportions.height-this.margins.top];if(!/^(document|window|parent)$/.test(t.containment)&&t.containment.constructor!=Array){var n=e(t.containment),r=n[0];if(!r)return;var i=n.offset(),s=e(r).css("overflow")!="hidden";this.containment=[(parseInt(e(r).css("borderLeftWidth"),10)||0)+(parseInt(e(r).css("paddingLeft"),10)||0),(parseInt(e(r).css("borderTopWidth"),10)||0)+(parseInt(e(r).css("paddingTop"),10)||0),(s?Math.max(r.scrollWidth,r.offsetWidth):r.offsetWidth)-(parseInt(e(r).css("borderLeftWidth"),10)||0)-(parseInt(e(r).css("paddingRight"),10)||0)-this.helperProportions.width-this.margins.left-this.margins.right,(s?Math.max(r.scrollHeight,r.offsetHeight):r.offsetHeight)-(parseInt(e(r).css("borderTopWidth"),10)||0)-(parseInt(e(r).css("paddingBottom"),10)||0)-this.helperProportions.height-this.margins.top-this.margins.bottom],this.relative_container=n}else t.containment.constructor==Array&&(this.containment=t.containment)},_convertPositionTo:function(t,n){n||(n=this.position);var r=t=="absolute"?1:-1,i=this.options,s=this.cssPosition!="absolute"||this.scrollParent[0]!=document&&!!e.contains(this.scrollParent[0],this.offsetParent[0])?this.scrollParent:this.offsetParent,o=/(html|body)/i.test(s[0].tagName);return{top:n.top+this.offset.relative.top*r+this.offset.parent.top*r-(this.cssPosition=="fixed"?-this.scrollParent.scrollTop():o?0:s.scrollTop())*r,left:n.left+this.offset.relative.left*r+this.offset.parent.left*r-(this.cssPosition=="fixed"?-this.scrollParent.scrollLeft():o?0:s.scrollLeft())*r}},_generatePosition:function(t){var n=this.options,r=this.cssPosition!="absolute"||this.scrollParent[0]!=document&&!!e.contains(this.scrollParent[0],this.offsetParent[0])?this.scrollParent:this.offsetParent,i=/(html|body)/i.test(r[0].tagName),s=t.pageX,o=t.pageY;if(this.originalPosition){var u;if(this.containment){if(this.relative_container){var a=this.relative_container.offset();u=[this.containment[0]+a.left,this.containment[1]+a.top,this.containment[2]+a.left,this.containment[3]+a.top]}else u=this.containment;t.pageX-this.offset.click.left<u[0]&&(s=u[0]+this.offset.click.left),t.pageY-this.offset.click.top<u[1]&&(o=u[1]+this.offset.click.top),t.pageX-this.offset.click.left>u[2]&&(s=u[2]+this.offset.click.left),t.pageY-this.offset.click.top>u[3]&&(o=u[3]+this.offset.click.top)}if(n.grid){var f=n.grid[1]?this.originalPageY+Math.round((o-this.originalPageY)/n.grid[1])*n.grid[1]:this.originalPageY;o=u?f-this.offset.click.top<u[1]||f-this.offset.click.top>u[3]?f-this.offset.click.top<u[1]?f+n.grid[1]:f-n.grid[1]:f:f;var l=n.grid[0]?this.originalPageX+Math.round((s-this.originalPageX)/n.grid[0])*n.grid[0]:this.originalPageX;s=u?l-this.offset.click.left<u[0]||l-this.offset.click.left>u[2]?l-this.offset.click.left<u[0]?l+n.grid[0]:l-n.grid[0]:l:l}}return{top:o-this.offset.click.top-this.offset.relative.top-this.offset.parent.top+(this.cssPosition=="fixed"?-this.scrollParent.scrollTop():i?0:r.scrollTop()),left:s-this.offset.click.left-this.offset.relative.left-this.offset.parent.left+(this.cssPosition=="fixed"?-this.scrollParent.scrollLeft():i?0:r.scrollLeft())}},_clear:function(){this.helper.removeClass("ui-draggable-dragging"),this.helper[0]!=this.element[0]&&!this.cancelHelperRemoval&&this.helper.remove(),this.helper=null,this.cancelHelperRemoval=!1},_trigger:function(t,n,r){return r=r||this._uiHash(),e.ui.plugin.call(this,t,[n,r]),t=="drag"&&(this.positionAbs=this._convertPositionTo("absolute")),e.Widget.prototype._trigger.call(this,t,n,r)},plugins:{},_uiHash:function(e){return{helper:this.helper,position:this.position,originalPosition:this.originalPosition,offset:this.positionAbs}}}),e.ui.plugin.add("draggable","connectToSortable",{start:function(t,n){var r=e(this).data("draggable"),i=r.options,s=e.extend({},n,{item:r.element});r.sortables=[],e(i.connectToSortable).each(function(){var n=e.data(this,"sortable");n&&!n.options.disabled&&(r.sortables.push({instance:n,shouldRevert:n.options.revert}),n.refreshPositions(),n._trigger("activate",t,s))})},stop:function(t,n){var r=e(this).data("draggable"),i=e.extend({},n,{item:r.element});e.each(r.sortables,function(){this.instance.isOver?(this.instance.isOver=0,r.cancelHelperRemoval=!0,this.instance.cancelHelperRemoval=!1,this.shouldRevert&&(this.instance.options.revert=!0),this.instance._mouseStop(t),this.instance.options.helper=this.instance.options._helper,r.options.helper=="original"&&this.instance.currentItem.css({top:"auto",left:"auto"})):(this.instance.cancelHelperRemoval=!1,this.instance._trigger("deactivate",t,i))})},drag:function(t,n){var r=e(this).data("draggable"),i=this,s=function(t){var n=this.offset.click.top,r=this.offset.click.left,i=this.positionAbs.top,s=this.positionAbs.left,o=t.height,u=t.width,a=t.top,f=t.left;return e.ui.isOver(i+n,s+r,a,f,o,u)};e.each(r.sortables,function(s){var o=!1,u=this;this.instance.positionAbs=r.positionAbs,this.instance.helperProportions=r.helperProportions,this.instance.offset.click=r.offset.click,this.instance._intersectsWith(this.instance.containerCache)&&(o=!0,e.each(r.sortables,function(){return this.instance.positionAbs=r.positionAbs,this.instance.helperProportions=r.helperProportions,this.instance.offset.click=r.offset.click,this!=u&&this.instance._intersectsWith(this.instance.containerCache)&&e.ui.contains(u.instance.element[0],this.instance.element[0])&&(o=!1),o})),o?(this.instance.isOver||(this.instance.isOver=1,this.instance.currentItem=e(i).clone().removeAttr("id").appendTo(this.instance.element).data("sortable-item",!0),this.instance.options._helper=this.instance.options.helper,this.instance.options.helper=function(){return n.helper[0]},t.target=this.instance.currentItem[0],this.instance._mouseCapture(t,!0),this.instance._mouseStart(t,!0,!0),this.instance.offset.click.top=r.offset.click.top,this.instance.offset.click.left=r.offset.click.left,this.instance.offset.parent.left-=r.offset.parent.left-this.instance.offset.parent.left,this.instance.offset.parent.top-=r.offset.parent.top-this.instance.offset.parent.top,r._trigger("toSortable",t),r.dropped=this.instance.element,r.currentItem=r.element,this.instance.fromOutside=r),this.instance.currentItem&&this.instance._mouseDrag(t)):this.instance.isOver&&(this.instance.isOver=0,this.instance.cancelHelperRemoval=!0,this.instance.options.revert=!1,this.instance._trigger("out",t,this.instance._uiHash(this.instance)),this.instance._mouseStop(t,!0),this.instance.options.helper=this.instance.options._helper,this.instance.currentItem.remove(),this.instance.placeholder&&this.instance.placeholder.remove(),r._trigger("fromSortable",t),r.dropped=!1)})}}),e.ui.plugin.add("draggable","cursor",{start:function(t,n){var r=e("body"),i=e(this).data("draggable").options;r.css("cursor")&&(i._cursor=r.css("cursor")),r.css("cursor",i.cursor)},stop:function(t,n){var r=e(this).data("draggable").options;r._cursor&&e("body").css("cursor",r._cursor)}}),e.ui.plugin.add("draggable","opacity",{start:function(t,n){var r=e(n.helper),i=e(this).data("draggable").options;r.css("opacity")&&(i._opacity=r.css("opacity")),r.css("opacity",i.opacity)},stop:function(t,n){var r=e(this).data("draggable").options;r._opacity&&e(n.helper).css("opacity",r._opacity)}}),e.ui.plugin.add("draggable","scroll",{start:function(t,n){var r=e(this).data("draggable");r.scrollParent[0]!=document&&r.scrollParent[0].tagName!="HTML"&&(r.overflowOffset=r.scrollParent.offset())},drag:function(t,n){var r=e(this).data("draggable"),i=r.options,s=!1;if(r.scrollParent[0]!=document&&r.scrollParent[0].tagName!="HTML"){if(!i.axis||i.axis!="x")r.overflowOffset.top+r.scrollParent[0].offsetHeight-t.pageY<i.scrollSensitivity?r.scrollParent[0].scrollTop=s=r.scrollParent[0].scrollTop+i.scrollSpeed:t.pageY-r.overflowOffset.top<i.scrollSensitivity&&(r.scrollParent[0].scrollTop=s=r.scrollParent[0].scrollTop-i.scrollSpeed);if(!i.axis||i.axis!="y")r.overflowOffset.left+r.scrollParent[0].offsetWidth-t.pageX<i.scrollSensitivity?r.scrollParent[0].scrollLeft=s=r.scrollParent[0].scrollLeft+i.scrollSpeed:t.pageX-r.overflowOffset.left<i.scrollSensitivity&&(r.scrollParent[0].scrollLeft=s=r.scrollParent[0].scrollLeft-i.scrollSpeed)}else{if(!i.axis||i.axis!="x")t.pageY-e(document).scrollTop()<i.scrollSensitivity?s=e(document).scrollTop(e(document).scrollTop()-i.scrollSpeed):e(window).height()-(t.pageY-e(document).scrollTop())<i.scrollSensitivity&&(s=e(document).scrollTop(e(document).scrollTop()+i.scrollSpeed));if(!i.axis||i.axis!="y")t.pageX-e(document).scrollLeft()<i.scrollSensitivity?s=e(document).scrollLeft(e(document).scrollLeft()-i.scrollSpeed):e(window).width()-(t.pageX-e(document).scrollLeft())<i.scrollSensitivity&&(s=e(document).scrollLeft(e(document).scrollLeft()+i.scrollSpeed))}s!==!1&&e.ui.ddmanager&&!i.dropBehaviour&&e.ui.ddmanager.prepareOffsets(r,t)}}),e.ui.plugin.add("draggable","snap",{start:function(t,n){var r=e(this).data("draggable"),i=r.options;r.snapElements=[],e(i.snap.constructor!=String?i.snap.items||":data(draggable)":i.snap).each(function(){var t=e(this),n=t.offset();this!=r.element[0]&&r.snapElements.push({item:this,width:t.outerWidth(),height:t.outerHeight(),top:n.top,left:n.left})})},drag:function(t,n){var r=e(this).data("draggable"),i=r.options,s=i.snapTolerance,o=n.offset.left,u=o+r.helperProportions.width,a=n.offset.top,f=a+r.helperProportions.height;for(var l=r.snapElements.length-1;l>=0;l--){var c=r.snapElements[l].left,h=c+r.snapElements[l].width,p=r.snapElements[l].top,d=p+r.snapElements[l].height;if(!(c-s<o&&o<h+s&&p-s<a&&a<d+s||c-s<o&&o<h+s&&p-s<f&&f<d+s||c-s<u&&u<h+s&&p-s<a&&a<d+s||c-s<u&&u<h+s&&p-s<f&&f<d+s)){r.snapElements[l].snapping&&r.options.snap.release&&r.options.snap.release.call(r.element,t,e.extend(r._uiHash(),{snapItem:r.snapElements[l].item})),r.snapElements[l].snapping=!1;continue}if(i.snapMode!="inner"){var v=Math.abs(p-f)<=s,m=Math.abs(d-a)<=s,g=Math.abs(c-u)<=s,y=Math.abs(h-o)<=s;v&&(n.position.top=r._convertPositionTo("relative",{top:p-r.helperProportions.height,left:0}).top-r.margins.top),m&&(n.position.top=r._convertPositionTo("relative",{top:d,left:0}).top-r.margins.top),g&&(n.position.left=r._convertPositionTo("relative",{top:0,left:c-r.helperProportions.width}).left-r.margins.left),y&&(n.position.left=r._convertPositionTo("relative",{top:0,left:h}).left-r.margins.left)}var b=v||m||g||y;if(i.snapMode!="outer"){var v=Math.abs(p-a)<=s,m=Math.abs(d-f)<=s,g=Math.abs(c-o)<=s,y=Math.abs(h-u)<=s;v&&(n.position.top=r._convertPositionTo("relative",{top:p,left:0}).top-r.margins.top),m&&(n.position.top=r._convertPositionTo("relative",{top:d-r.helperProportions.height,left:0}).top-r.margins.top),g&&(n.position.left=r._convertPositionTo("relative",{top:0,left:c}).left-r.margins.left),y&&(n.position.left=r._convertPositionTo("relative",{top:0,left:h-r.helperProportions.width}).left-r.margins.left)}!r.snapElements[l].snapping&&(v||m||g||y||b)&&r.options.snap.snap&&r.options.snap.snap.call(r.element,t,e.extend(r._uiHash(),{snapItem:r.snapElements[l].item})),r.snapElements[l].snapping=v||m||g||y||b}}}),e.ui.plugin.add("draggable","stack",{start:function(t,n){var r=e(this).data("draggable").options,i=e.makeArray(e(r.stack)).sort(function(t,n){return(parseInt(e(t).css("zIndex"),10)||0)-(parseInt(e(n).css("zIndex"),10)||0)});if(!i.length)return;var s=parseInt(i[0].style.zIndex)||0;e(i).each(function(e){this.style.zIndex=s+e}),this[0].style.zIndex=s+i.length}}),e.ui.plugin.add("draggable","zIndex",{start:function(t,n){var r=e(n.helper),i=e(this).data("draggable").options;r.css("zIndex")&&(i._zIndex=r.css("zIndex")),r.css("zIndex",i.zIndex)},stop:function(t,n){var r=e(this).data("draggable").options;r._zIndex&&e(n.helper).css("zIndex",r._zIndex)}})})(jQuery);(function(e,t){e.widget("ui.resizable",e.ui.mouse,{version:"1.9.2",widgetEventPrefix:"resize",options:{alsoResize:!1,animate:!1,animateDuration:"slow",animateEasing:"swing",aspectRatio:!1,autoHide:!1,containment:!1,ghost:!1,grid:!1,handles:"e,s,se",helper:!1,maxHeight:null,maxWidth:null,minHeight:10,minWidth:10,zIndex:1e3},_create:function(){var t=this,n=this.options;this.element.addClass("ui-resizable"),e.extend(this,{_aspectRatio:!!n.aspectRatio,aspectRatio:n.aspectRatio,originalElement:this.element,_proportionallyResizeElements:[],_helper:n.helper||n.ghost||n.animate?n.helper||"ui-resizable-helper":null}),this.element[0].nodeName.match(/canvas|textarea|input|select|button|img/i)&&(this.element.wrap(e('<div class="ui-wrapper" style="overflow: hidden;"></div>').css({position:this.element.css("position"),width:this.element.outerWidth(),height:this.element.outerHeight(),top:this.element.css("top"),left:this.element.css("left")})),this.element=this.element.parent().data("resizable",this.element.data("resizable")),this.elementIsWrapper=!0,this.element.css({marginLeft:this.originalElement.css("marginLeft"),marginTop:this.originalElement.css("marginTop"),marginRight:this.originalElement.css("marginRight"),marginBottom:this.originalElement.css("marginBottom")}),this.originalElement.css({marginLeft:0,marginTop:0,marginRight:0,marginBottom:0}),this.originalResizeStyle=this.originalElement.css("resize"),this.originalElement.css("resize","none"),this._proportionallyResizeElements.push(this.originalElement.css({position:"static",zoom:1,display:"block"})),this.originalElement.css({margin:this.originalElement.css("margin")}),this._proportionallyResize()),this.handles=n.handles||(e(".ui-resizable-handle",this.element).length?{n:".ui-resizable-n",e:".ui-resizable-e",s:".ui-resizable-s",w:".ui-resizable-w",se:".ui-resizable-se",sw:".ui-resizable-sw",ne:".ui-resizable-ne",nw:".ui-resizable-nw"}:"e,s,se");if(this.handles.constructor==String){this.handles=="all"&&(this.handles="n,e,s,w,se,sw,ne,nw");var r=this.handles.split(",");this.handles={};for(var i=0;i<r.length;i++){var s=e.trim(r[i]),o="ui-resizable-"+s,u=e('<div class="ui-resizable-handle '+o+'"></div>');u.css({zIndex:n.zIndex}),"se"==s&&u.addClass("ui-icon ui-icon-gripsmall-diagonal-se"),this.handles[s]=".ui-resizable-"+s,this.element.append(u)}}this._renderAxis=function(t){t=t||this.element;for(var n in this.handles){this.handles[n].constructor==String&&(this.handles[n]=e(this.handles[n],this.element).show());if(this.elementIsWrapper&&this.originalElement[0].nodeName.match(/textarea|input|select|button/i)){var r=e(this.handles[n],this.element),i=0;i=/sw|ne|nw|se|n|s/.test(n)?r.outerHeight():r.outerWidth();var s=["padding",/ne|nw|n/.test(n)?"Top":/se|sw|s/.test(n)?"Bottom":/^e$/.test(n)?"Right":"Left"].join("");t.css(s,i),this._proportionallyResize()}if(!e(this.handles[n]).length)continue}},this._renderAxis(this.element),this._handles=e(".ui-resizable-handle",this.element).disableSelection(),this._handles.mouseover(function(){if(!t.resizing){if(this.className)var e=this.className.match(/ui-resizable-(se|sw|ne|nw|n|e|s|w)/i);t.axis=e&&e[1]?e[1]:"se"}}),n.autoHide&&(this._handles.hide(),e(this.element).addClass("ui-resizable-autohide").mouseenter(function(){if(n.disabled)return;e(this).removeClass("ui-resizable-autohide"),t._handles.show()}).mouseleave(function(){if(n.disabled)return;t.resizing||(e(this).addClass("ui-resizable-autohide"),t._handles.hide())})),this._mouseInit()},_destroy:function(){this._mouseDestroy();var t=function(t){e(t).removeClass("ui-resizable ui-resizable-disabled ui-resizable-resizing").removeData("resizable").removeData("ui-resizable").unbind(".resizable").find(".ui-resizable-handle").remove()};if(this.elementIsWrapper){t(this.element);var n=this.element;this.originalElement.css({position:n.css("position"),width:n.outerWidth(),height:n.outerHeight(),top:n.css("top"),left:n.css("left")}).insertAfter(n),n.remove()}return this.originalElement.css("resize",this.originalResizeStyle),t(this.originalElement),this},_mouseCapture:function(t){var n=!1;for(var r in this.handles)e(this.handles[r])[0]==t.target&&(n=!0);return!this.options.disabled&&n},_mouseStart:function(t){var r=this.options,i=this.element.position(),s=this.element;this.resizing=!0,this.documentScroll={top:e(document).scrollTop(),left:e(document).scrollLeft()},(s.is(".ui-draggable")||/absolute/.test(s.css("position")))&&s.css({position:"absolute",top:i.top,left:i.left}),this._renderProxy();var o=n(this.helper.css("left")),u=n(this.helper.css("top"));r.containment&&(o+=e(r.containment).scrollLeft()||0,u+=e(r.containment).scrollTop()||0),this.offset=this.helper.offset(),this.position={left:o,top:u},this.size=this._helper?{width:s.outerWidth(),height:s.outerHeight()}:{width:s.width(),height:s.height()},this.originalSize=this._helper?{width:s.outerWidth(),height:s.outerHeight()}:{width:s.width(),height:s.height()},this.originalPosition={left:o,top:u},this.sizeDiff={width:s.outerWidth()-s.width(),height:s.outerHeight()-s.height()},this.originalMousePosition={left:t.pageX,top:t.pageY},this.aspectRatio=typeof r.aspectRatio=="number"?r.aspectRatio:this.originalSize.width/this.originalSize.height||1;var a=e(".ui-resizable-"+this.axis).css("cursor");return e("body").css("cursor",a=="auto"?this.axis+"-resize":a),s.addClass("ui-resizable-resizing"),this._propagate("start",t),!0},_mouseDrag:function(e){var t=this.helper,n=this.options,r={},i=this,s=this.originalMousePosition,o=this.axis,u=e.pageX-s.left||0,a=e.pageY-s.top||0,f=this._change[o];if(!f)return!1;var l=f.apply(this,[e,u,a]);this._updateVirtualBoundaries(e.shiftKey);if(this._aspectRatio||e.shiftKey)l=this._updateRatio(l,e);return l=this._respectSize(l,e),this._propagate("resize",e),t.css({top:this.position.top+"px",left:this.position.left+"px",width:this.size.width+"px",height:this.size.height+"px"}),!this._helper&&this._proportionallyResizeElements.length&&this._proportionallyResize(),this._updateCache(l),this._trigger("resize",e,this.ui()),!1},_mouseStop:function(t){this.resizing=!1;var n=this.options,r=this;if(this._helper){var i=this._proportionallyResizeElements,s=i.length&&/textarea/i.test(i[0].nodeName),o=s&&e.ui.hasScroll(i[0],"left")?0:r.sizeDiff.height,u=s?0:r.sizeDiff.width,a={width:r.helper.width()-u,height:r.helper.height()-o},f=parseInt(r.element.css("left"),10)+(r.position.left-r.originalPosition.left)||null,l=parseInt(r.element.css("top"),10)+(r.position.top-r.originalPosition.top)||null;n.animate||this.element.css(e.extend(a,{top:l,left:f})),r.helper.height(r.size.height),r.helper.width(r.size.width),this._helper&&!n.animate&&this._proportionallyResize()}return e("body").css("cursor","auto"),this.element.removeClass("ui-resizable-resizing"),this._propagate("stop",t),this._helper&&this.helper.remove(),!1},_updateVirtualBoundaries:function(e){var t=this.options,n,i,s,o,u;u={minWidth:r(t.minWidth)?t.minWidth:0,maxWidth:r(t.maxWidth)?t.maxWidth:Infinity,minHeight:r(t.minHeight)?t.minHeight:0,maxHeight:r(t.maxHeight)?t.maxHeight:Infinity};if(this._aspectRatio||e)n=u.minHeight*this.aspectRatio,s=u.minWidth/this.aspectRatio,i=u.maxHeight*this.aspectRatio,o=u.maxWidth/this.aspectRatio,n>u.minWidth&&(u.minWidth=n),s>u.minHeight&&(u.minHeight=s),i<u.maxWidth&&(u.maxWidth=i),o<u.maxHeight&&(u.maxHeight=o);this._vBoundaries=u},_updateCache:function(e){var t=this.options;this.offset=this.helper.offset(),r(e.left)&&(this.position.left=e.left),r(e.top)&&(this.position.top=e.top),r(e.height)&&(this.size.height=e.height),r(e.width)&&(this.size.width=e.width)},_updateRatio:function(e,t){var n=this.options,i=this.position,s=this.size,o=this.axis;return r(e.height)?e.width=e.height*this.aspectRatio:r(e.width)&&(e.height=e.width/this.aspectRatio),o=="sw"&&(e.left=i.left+(s.width-e.width),e.top=null),o=="nw"&&(e.top=i.top+(s.height-e.height),e.left=i.left+(s.width-e.width)),e},_respectSize:function(e,t){var n=this.helper,i=this._vBoundaries,s=this._aspectRatio||t.shiftKey,o=this.axis,u=r(e.width)&&i.maxWidth&&i.maxWidth<e.width,a=r(e.height)&&i.maxHeight&&i.maxHeight<e.height,f=r(e.width)&&i.minWidth&&i.minWidth>e.width,l=r(e.height)&&i.minHeight&&i.minHeight>e.height;f&&(e.width=i.minWidth),l&&(e.height=i.minHeight),u&&(e.width=i.maxWidth),a&&(e.height=i.maxHeight);var c=this.originalPosition.left+this.originalSize.width,h=this.position.top+this.size.height,p=/sw|nw|w/.test(o),d=/nw|ne|n/.test(o);f&&p&&(e.left=c-i.minWidth),u&&p&&(e.left=c-i.maxWidth),l&&d&&(e.top=h-i.minHeight),a&&d&&(e.top=h-i.maxHeight);var v=!e.width&&!e.height;return v&&!e.left&&e.top?e.top=null:v&&!e.top&&e.left&&(e.left=null),e},_proportionallyResize:function(){var t=this.options;if(!this._proportionallyResizeElements.length)return;var n=this.helper||this.element;for(var r=0;r<this._proportionallyResizeElements.length;r++){var i=this._proportionallyResizeElements[r];if(!this.borderDif){var s=[i.css("borderTopWidth"),i.css("borderRightWidth"),i.css("borderBottomWidth"),i.css("borderLeftWidth")],o=[i.css("paddingTop"),i.css("paddingRight"),i.css("paddingBottom"),i.css("paddingLeft")];this.borderDif=e.map(s,function(e,t){var n=parseInt(e,10)||0,r=parseInt(o[t],10)||0;return n+r})}i.css({height:n.height()-this.borderDif[0]-this.borderDif[2]||0,width:n.width()-this.borderDif[1]-this.borderDif[3]||0})}},_renderProxy:function(){var t=this.element,n=this.options;this.elementOffset=t.offset();if(this._helper){this.helper=this.helper||e('<div style="overflow:hidden;"></div>');var r=e.ui.ie6?1:0,i=e.ui.ie6?2:-1;this.helper.addClass(this._helper).css({width:this.element.outerWidth()+i,height:this.element.outerHeight()+i,position:"absolute",left:this.elementOffset.left-r+"px",top:this.elementOffset.top-r+"px",zIndex:++n.zIndex}),this.helper.appendTo("body").disableSelection()}else this.helper=this.element},_change:{e:function(e,t,n){return{width:this.originalSize.width+t}},w:function(e,t,n){var r=this.options,i=this.originalSize,s=this.originalPosition;return{left:s.left+t,width:i.width-t}},n:function(e,t,n){var r=this.options,i=this.originalSize,s=this.originalPosition;return{top:s.top+n,height:i.height-n}},s:function(e,t,n){return{height:this.originalSize.height+n}},se:function(t,n,r){return e.extend(this._change.s.apply(this,arguments),this._change.e.apply(this,[t,n,r]))},sw:function(t,n,r){return e.extend(this._change.s.apply(this,arguments),this._change.w.apply(this,[t,n,r]))},ne:function(t,n,r){return e.extend(this._change.n.apply(this,arguments),this._change.e.apply(this,[t,n,r]))},nw:function(t,n,r){return e.extend(this._change.n.apply(this,arguments),this._change.w.apply(this,[t,n,r]))}},_propagate:function(t,n){e.ui.plugin.call(this,t,[n,this.ui()]),t!="resize"&&this._trigger(t,n,this.ui())},plugins:{},ui:function(){return{originalElement:this.originalElement,element:this.element,helper:this.helper,position:this.position,size:this.size,originalSize:this.originalSize,originalPosition:this.originalPosition}}}),e.ui.plugin.add("resizable","alsoResize",{start:function(t,n){var r=e(this).data("resizable"),i=r.options,s=function(t){e(t).each(function(){var t=e(this);t.data("resizable-alsoresize",{width:parseInt(t.width(),10),height:parseInt(t.height(),10),left:parseInt(t.css("left"),10),top:parseInt(t.css("top"),10)})})};typeof i.alsoResize=="object"&&!i.alsoResize.parentNode?i.alsoResize.length?(i.alsoResize=i.alsoResize[0],s(i.alsoResize)):e.each(i.alsoResize,function(e){s(e)}):s(i.alsoResize)},resize:function(t,n){var r=e(this).data("resizable"),i=r.options,s=r.originalSize,o=r.originalPosition,u={height:r.size.height-s.height||0,width:r.size.width-s.width||0,top:r.position.top-o.top||0,left:r.position.left-o.left||0},a=function(t,r){e(t).each(function(){var t=e(this),i=e(this).data("resizable-alsoresize"),s={},o=r&&r.length?r:t.parents(n.originalElement[0]).length?["width","height"]:["width","height","top","left"];e.each(o,function(e,t){var n=(i[t]||0)+(u[t]||0);n&&n>=0&&(s[t]=n||null)}),t.css(s)})};typeof i.alsoResize=="object"&&!i.alsoResize.nodeType?e.each(i.alsoResize,function(e,t){a(e,t)}):a(i.alsoResize)},stop:function(t,n){e(this).removeData("resizable-alsoresize")}}),e.ui.plugin.add("resizable","animate",{stop:function(t,n){var r=e(this).data("resizable"),i=r.options,s=r._proportionallyResizeElements,o=s.length&&/textarea/i.test(s[0].nodeName),u=o&&e.ui.hasScroll(s[0],"left")?0:r.sizeDiff.height,a=o?0:r.sizeDiff.width,f={width:r.size.width-a,height:r.size.height-u},l=parseInt(r.element.css("left"),10)+(r.position.left-r.originalPosition.left)||null,c=parseInt(r.element.css("top"),10)+(r.position.top-r.originalPosition.top)||null;r.element.animate(e.extend(f,c&&l?{top:c,left:l}:{}),{duration:i.animateDuration,easing:i.animateEasing,step:function(){var n={width:parseInt(r.element.css("width"),10),height:parseInt(r.element.css("height"),10),top:parseInt(r.element.css("top"),10),left:parseInt(r.element.css("left"),10)};s&&s.length&&e(s[0]).css({width:n.width,height:n.height}),r._updateCache(n),r._propagate("resize",t)}})}}),e.ui.plugin.add("resizable","containment",{start:function(t,r){var i=e(this).data("resizable"),s=i.options,o=i.element,u=s.containment,a=u instanceof e?u.get(0):/parent/.test(u)?o.parent().get(0):u;if(!a)return;i.containerElement=e(a);if(/document/.test(u)||u==document)i.containerOffset={left:0,top:0},i.containerPosition={left:0,top:0},i.parentData={element:e(document),left:0,top:0,width:e(document).width(),height:e(document).height()||document.body.parentNode.scrollHeight};else{var f=e(a),l=[];e(["Top","Right","Left","Bottom"]).each(function(e,t){l[e]=n(f.css("padding"+t))}),i.containerOffset=f.offset(),i.containerPosition=f.position(),i.containerSize={height:f.innerHeight()-l[3],width:f.innerWidth()-l[1]};var c=i.containerOffset,h=i.containerSize.height,p=i.containerSize.width,d=e.ui.hasScroll(a,"left")?a.scrollWidth:p,v=e.ui.hasScroll(a)?a.scrollHeight:h;i.parentData={element:a,left:c.left,top:c.top,width:d,height:v}}},resize:function(t,n){var r=e(this).data("resizable"),i=r.options,s=r.containerSize,o=r.containerOffset,u=r.size,a=r.position,f=r._aspectRatio||t.shiftKey,l={top:0,left:0},c=r.containerElement;c[0]!=document&&/static/.test(c.css("position"))&&(l=o),a.left<(r._helper?o.left:0)&&(r.size.width=r.size.width+(r._helper?r.position.left-o.left:r.position.left-l.left),f&&(r.size.height=r.size.width/r.aspectRatio),r.position.left=i.helper?o.left:0),a.top<(r._helper?o.top:0)&&(r.size.height=r.size.height+(r._helper?r.position.top-o.top:r.position.top),f&&(r.size.width=r.size.height*r.aspectRatio),r.position.top=r._helper?o.top:0),r.offset.left=r.parentData.left+r.position.left,r.offset.top=r.parentData.top+r.position.top;var h=Math.abs((r._helper?r.offset.left-l.left:r.offset.left-l.left)+r.sizeDiff.width),p=Math.abs((r._helper?r.offset.top-l.top:r.offset.top-o.top)+r.sizeDiff.height),d=r.containerElement.get(0)==r.element.parent().get(0),v=/relative|absolute/.test(r.containerElement.css("position"));d&&v&&(h-=r.parentData.left),h+r.size.width>=r.parentData.width&&(r.size.width=r.parentData.width-h,f&&(r.size.height=r.size.width/r.aspectRatio)),p+r.size.height>=r.parentData.height&&(r.size.height=r.parentData.height-p,f&&(r.size.width=r.size.height*r.aspectRatio))},stop:function(t,n){var r=e(this).data("resizable"),i=r.options,s=r.position,o=r.containerOffset,u=r.containerPosition,a=r.containerElement,f=e(r.helper),l=f.offset(),c=f.outerWidth()-r.sizeDiff.width,h=f.outerHeight()-r.sizeDiff.height;r._helper&&!i.animate&&/relative/.test(a.css("position"))&&e(this).css({left:l.left-u.left-o.left,width:c,height:h}),r._helper&&!i.animate&&/static/.test(a.css("position"))&&e(this).css({left:l.left-u.left-o.left,width:c,height:h})}}),e.ui.plugin.add("resizable","ghost",{start:function(t,n){var r=e(this).data("resizable"),i=r.options,s=r.size;r.ghost=r.originalElement.clone(),r.ghost.css({opacity:.25,display:"block",position:"relative",height:s.height,width:s.width,margin:0,left:0,top:0}).addClass("ui-resizable-ghost").addClass(typeof i.ghost=="string"?i.ghost:""),r.ghost.appendTo(r.helper)},resize:function(t,n){var r=e(this).data("resizable"),i=r.options;r.ghost&&r.ghost.css({position:"relative",height:r.size.height,width:r.size.width})},stop:function(t,n){var r=e(this).data("resizable"),i=r.options;r.ghost&&r.helper&&r.helper.get(0).removeChild(r.ghost.get(0))}}),e.ui.plugin.add("resizable","grid",{resize:function(t,n){var r=e(this).data("resizable"),i=r.options,s=r.size,o=r.originalSize,u=r.originalPosition,a=r.axis,f=i._aspectRatio||t.shiftKey;i.grid=typeof i.grid=="number"?[i.grid,i.grid]:i.grid;var l=Math.round((s.width-o.width)/(i.grid[0]||1))*(i.grid[0]||1),c=Math.round((s.height-o.height)/(i.grid[1]||1))*(i.grid[1]||1);/^(se|s|e)$/.test(a)?(r.size.width=o.width+l,r.size.height=o.height+c):/^(ne)$/.test(a)?(r.size.width=o.width+l,r.size.height=o.height+c,r.position.top=u.top-c):/^(sw)$/.test(a)?(r.size.width=o.width+l,r.size.height=o.height+c,r.position.left=u.left-l):(r.size.width=o.width+l,r.size.height=o.height+c,r.position.top=u.top-c,r.position.left=u.left-l)}});var n=function(e){return parseInt(e,10)||0},r=function(e){return!isNaN(parseInt(e,10))}})(jQuery);(function(e,t){e.widget("ui.selectable",e.ui.mouse,{version:"1.9.2",options:{appendTo:"body",autoRefresh:!0,distance:0,filter:"*",tolerance:"touch"},_create:function(){var t=this;this.element.addClass("ui-selectable"),this.dragged=!1;var n;this.refresh=function(){n=e(t.options.filter,t.element[0]),n.addClass("ui-selectee"),n.each(function(){var t=e(this),n=t.offset();e.data(this,"selectable-item",{element:this,$element:t,left:n.left,top:n.top,right:n.left+t.outerWidth(),bottom:n.top+t.outerHeight(),startselected:!1,selected:t.hasClass("ui-selected"),selecting:t.hasClass("ui-selecting"),unselecting:t.hasClass("ui-unselecting")})})},this.refresh(),this.selectees=n.addClass("ui-selectee"),this._mouseInit(),this.helper=e("<div class='ui-selectable-helper'></div>")},_destroy:function(){this.selectees.removeClass("ui-selectee").removeData("selectable-item"),this.element.removeClass("ui-selectable ui-selectable-disabled"),this._mouseDestroy()},_mouseStart:function(t){var n=this;this.opos=[t.pageX,t.pageY];if(this.options.disabled)return;var r=this.options;this.selectees=e(r.filter,this.element[0]),this._trigger("start",t),e(r.appendTo).append(this.helper),this.helper.css({left:t.clientX,top:t.clientY,width:0,height:0}),r.autoRefresh&&this.refresh(),this.selectees.filter(".ui-selected").each(function(){var r=e.data(this,"selectable-item");r.startselected=!0,!t.metaKey&&!t.ctrlKey&&(r.$element.removeClass("ui-selected"),r.selected=!1,r.$element.addClass("ui-unselecting"),r.unselecting=!0,n._trigger("unselecting",t,{unselecting:r.element}))}),e(t.target).parents().andSelf().each(function(){var r=e.data(this,"selectable-item");if(r){var i=!t.metaKey&&!t.ctrlKey||!r.$element.hasClass("ui-selected");return r.$element.removeClass(i?"ui-unselecting":"ui-selected").addClass(i?"ui-selecting":"ui-unselecting"),r.unselecting=!i,r.selecting=i,r.selected=i,i?n._trigger("selecting",t,{selecting:r.element}):n._trigger("unselecting",t,{unselecting:r.element}),!1}})},_mouseDrag:function(t){var n=this;this.dragged=!0;if(this.options.disabled)return;var r=this.options,i=this.opos[0],s=this.opos[1],o=t.pageX,u=t.pageY;if(i>o){var a=o;o=i,i=a}if(s>u){var a=u;u=s,s=a}return this.helper.css({left:i,top:s,width:o-i,height:u-s}),this.selectees.each(function(){var a=e.data(this,"selectable-item");if(!a||a.element==n.element[0])return;var f=!1;r.tolerance=="touch"?f=!(a.left>o||a.right<i||a.top>u||a.bottom<s):r.tolerance=="fit"&&(f=a.left>i&&a.right<o&&a.top>s&&a.bottom<u),f?(a.selected&&(a.$element.removeClass("ui-selected"),a.selected=!1),a.unselecting&&(a.$element.removeClass("ui-unselecting"),a.unselecting=!1),a.selecting||(a.$element.addClass("ui-selecting"),a.selecting=!0,n._trigger("selecting",t,{selecting:a.element}))):(a.selecting&&((t.metaKey||t.ctrlKey)&&a.startselected?(a.$element.removeClass("ui-selecting"),a.selecting=!1,a.$element.addClass("ui-selected"),a.selected=!0):(a.$element.removeClass("ui-selecting"),a.selecting=!1,a.startselected&&(a.$element.addClass("ui-unselecting"),a.unselecting=!0),n._trigger("unselecting",t,{unselecting:a.element}))),a.selected&&!t.metaKey&&!t.ctrlKey&&!a.startselected&&(a.$element.removeClass("ui-selected"),a.selected=!1,a.$element.addClass("ui-unselecting"),a.unselecting=!0,n._trigger("unselecting",t,{unselecting:a.element})))}),!1},_mouseStop:function(t){var n=this;this.dragged=!1;var r=this.options;return e(".ui-unselecting",this.element[0]).each(function(){var r=e.data(this,"selectable-item");r.$element.removeClass("ui-unselecting"),r.unselecting=!1,r.startselected=!1,n._trigger("unselected",t,{unselected:r.element})}),e(".ui-selecting",this.element[0]).each(function(){var r=e.data(this,"selectable-item");r.$element.removeClass("ui-selecting").addClass("ui-selected"),r.selecting=!1,r.selected=!0,r.startselected=!0,n._trigger("selected",t,{selected:r.element})}),this._trigger("stop",t),this.helper.remove(),!1}})})(jQuery);(function(e,t){var n,r,i,s,o="ui-button ui-widget ui-state-default ui-corner-all",u="ui-state-hover ui-state-active ",a="ui-button-icons-only ui-button-icon-only ui-button-text-icons ui-button-text-icon-primary ui-button-text-icon-secondary ui-button-text-only",f=function(){var t=e(this).find(":ui-button");setTimeout(function(){t.button("refresh")},1)},l=function(t){var n=t.name,r=t.form,i=e([]);return n&&(r?i=e(r).find("[name='"+n+"']"):i=e("[name='"+n+"']",t.ownerDocument).filter(function(){return!this.form})),i};e.widget("ui.button",{version:"1.9.2",defaultElement:"<button>",options:{disabled:null,text:!0,label:null,icons:{primary:null,secondary:null}},_create:function(){this.element.closest("form").unbind("reset"+this.eventNamespace).bind("reset"+this.eventNamespace,f),typeof this.options.disabled!="boolean"?this.options.disabled=!!this.element.prop("disabled"):this.element.prop("disabled",this.options.disabled),this._determineButtonType(),this.hasTitle=!!this.buttonElement.attr("title");var t=this,u=this.options,a=this.type==="checkbox"||this.type==="radio",c=a?"":"ui-state-active",h="ui-state-focus";u.label===null&&(u.label=this.type==="input"?this.buttonElement.val():this.buttonElement.html()),this._hoverable(this.buttonElement),this.buttonElement.addClass(o).attr("role","button").bind("mouseenter"+this.eventNamespace,function(){if(u.disabled)return;this===n&&e(this).addClass("ui-state-active")}).bind("mouseleave"+this.eventNamespace,function(){if(u.disabled)return;e(this).removeClass(c)}).bind("click"+this.eventNamespace,function(e){u.disabled&&(e.preventDefault(),e.stopImmediatePropagation())}),this.element.bind("focus"+this.eventNamespace,function(){t.buttonElement.addClass(h)}).bind("blur"+this.eventNamespace,function(){t.buttonElement.removeClass(h)}),a&&(this.element.bind("change"+this.eventNamespace,function(){if(s)return;t.refresh()}),this.buttonElement.bind("mousedown"+this.eventNamespace,function(e){if(u.disabled)return;s=!1,r=e.pageX,i=e.pageY}).bind("mouseup"+this.eventNamespace,function(e){if(u.disabled)return;if(r!==e.pageX||i!==e.pageY)s=!0})),this.type==="checkbox"?this.buttonElement.bind("click"+this.eventNamespace,function(){if(u.disabled||s)return!1;e(this).toggleClass("ui-state-active"),t.buttonElement.attr("aria-pressed",t.element[0].checked)}):this.type==="radio"?this.buttonElement.bind("click"+this.eventNamespace,function(){if(u.disabled||s)return!1;e(this).addClass("ui-state-active"),t.buttonElement.attr("aria-pressed","true");var n=t.element[0];l(n).not(n).map(function(){return e(this).button("widget")[0]}).removeClass("ui-state-active").attr("aria-pressed","false")}):(this.buttonElement.bind("mousedown"+this.eventNamespace,function(){if(u.disabled)return!1;e(this).addClass("ui-state-active"),n=this,t.document.one("mouseup",function(){n=null})}).bind("mouseup"+this.eventNamespace,function(){if(u.disabled)return!1;e(this).removeClass("ui-state-active")}).bind("keydown"+this.eventNamespace,function(t){if(u.disabled)return!1;(t.keyCode===e.ui.keyCode.SPACE||t.keyCode===e.ui.keyCode.ENTER)&&e(this).addClass("ui-state-active")}).bind("keyup"+this.eventNamespace,function(){e(this).removeClass("ui-state-active")}),this.buttonElement.is("a")&&this.buttonElement.keyup(function(t){t.keyCode===e.ui.keyCode.SPACE&&e(this).click()})),this._setOption("disabled",u.disabled),this._resetButton()},_determineButtonType:function(){var e,t,n;this.element.is("[type=checkbox]")?this.type="checkbox":this.element.is("[type=radio]")?this.type="radio":this.element.is("input")?this.type="input":this.type="button",this.type==="checkbox"||this.type==="radio"?(e=this.element.parents().last(),t="label[for='"+this.element.attr("id")+"']",this.buttonElement=e.find(t),this.buttonElement.length||(e=e.length?e.siblings():this.element.siblings(),this.buttonElement=e.filter(t),this.buttonElement.length||(this.buttonElement=e.find(t))),this.element.addClass("ui-helper-hidden-accessible"),n=this.element.is(":checked"),n&&this.buttonElement.addClass("ui-state-active"),this.buttonElement.prop("aria-pressed",n)):this.buttonElement=this.element},widget:function(){return this.buttonElement},_destroy:function(){this.element.removeClass("ui-helper-hidden-accessible"),this.buttonElement.removeClass(o+" "+u+" "+a).removeAttr("role").removeAttr("aria-pressed").html(this.buttonElement.find(".ui-button-text").html()),this.hasTitle||this.buttonElement.removeAttr("title")},_setOption:function(e,t){this._super(e,t);if(e==="disabled"){t?this.element.prop("disabled",!0):this.element.prop("disabled",!1);return}this._resetButton()},refresh:function(){var t=this.element.is("input, button")?this.element.is(":disabled"):this.element.hasClass("ui-button-disabled");t!==this.options.disabled&&this._setOption("disabled",t),this.type==="radio"?l(this.element[0]).each(function(){e(this).is(":checked")?e(this).button("widget").addClass("ui-state-active").attr("aria-pressed","true"):e(this).button("widget").removeClass("ui-state-active").attr("aria-pressed","false")}):this.type==="checkbox"&&(this.element.is(":checked")?this.buttonElement.addClass("ui-state-active").attr("aria-pressed","true"):this.buttonElement.removeClass("ui-state-active").attr("aria-pressed","false"))},_resetButton:function(){if(this.type==="input"){this.options.label&&this.element.val(this.options.label);return}var t=this.buttonElement.removeClass(a),n=e("<span></span>",this.document[0]).addClass("ui-button-text").html(this.options.label).appendTo(t.empty()).text(),r=this.options.icons,i=r.primary&&r.secondary,s=[];r.primary||r.secondary?(this.options.text&&s.push("ui-button-text-icon"+(i?"s":r.primary?"-primary":"-secondary")),r.primary&&t.prepend("<span class='ui-button-icon-primary ui-icon "+r.primary+"'></span>"),r.secondary&&t.append("<span class='ui-button-icon-secondary ui-icon "+r.secondary+"'></span>"),this.options.text||(s.push(i?"ui-button-icons-only":"ui-button-icon-only"),this.hasTitle||t.attr("title",e.trim(n)))):s.push("ui-button-text-only"),t.addClass(s.join(" "))}}),e.widget("ui.buttonset",{version:"1.9.2",options:{items:"button, input[type=button], input[type=submit], input[type=reset], input[type=checkbox], input[type=radio], a, :data(button)"},_create:function(){this.element.addClass("ui-buttonset")},_init:function(){this.refresh()},_setOption:function(e,t){e==="disabled"&&this.buttons.button("option",e,t),this._super(e,t)},refresh:function(){var t=this.element.css("direction")==="rtl";this.buttons=this.element.find(this.options.items).filter(":ui-button").button("refresh").end().not(":ui-button").button().end().map(function(){return e(this).button("widget")[0]}).removeClass("ui-corner-all ui-corner-left ui-corner-right").filter(":first").addClass(t?"ui-corner-right":"ui-corner-left").end().filter(":last").addClass(t?"ui-corner-left":"ui-corner-right").end().end()},_destroy:function(){this.element.removeClass("ui-buttonset"),this.buttons.map(function(){return e(this).button("widget")[0]}).removeClass("ui-corner-left ui-corner-right").end().button("destroy")}})})(jQuery);(function(e,t){var n="ui-dialog ui-widget ui-widget-content ui-corner-all ",r={buttons:!0,height:!0,maxHeight:!0,maxWidth:!0,minHeight:!0,minWidth:!0,width:!0},i={maxHeight:!0,maxWidth:!0,minHeight:!0,minWidth:!0};e.widget("ui.dialog",{version:"1.9.2",options:{autoOpen:!0,buttons:{},closeOnEscape:!0,closeText:"close",dialogClass:"",draggable:!0,hide:null,height:"auto",maxHeight:!1,maxWidth:!1,minHeight:150,minWidth:150,modal:!1,position:{my:"center",at:"center",of:window,collision:"fit",using:function(t){var n=e(this).css(t).offset().top;n<0&&e(this).css("top",t.top-n)}},resizable:!0,show:null,stack:!0,title:"",width:300,zIndex:1e3},_create:function(){this.originalTitle=this.element.attr("title"),typeof this.originalTitle!="string"&&(this.originalTitle=""),this.oldPosition={parent:this.element.parent(),index:this.element.parent().children().index(this.element)},this.options.title=this.options.title||this.originalTitle;var t=this,r=this.options,i=r.title||" ",s,o,u,a,f;s=(this.uiDialog=e("<div>")).addClass(n+r.dialogClass).css({display:"none",outline:0,zIndex:r.zIndex}).attr("tabIndex",-1).keydown(function(n){r.closeOnEscape&&!n.isDefaultPrevented()&&n.keyCode&&n.keyCode===e.ui.keyCode.ESCAPE&&(t.close(n),n.preventDefault())}).mousedown(function(e){t.moveToTop(!1,e)}).appendTo("body"),this.element.show().removeAttr("title").addClass("ui-dialog-content ui-widget-content").appendTo(s),o=(this.uiDialogTitlebar=e("<div>")).addClass("ui-dialog-titlebar ui-widget-header ui-corner-all ui-helper-clearfix").bind("mousedown",function(){s.focus()}).prependTo(s),u=e("<a href='#'></a>").addClass("ui-dialog-titlebar-close ui-corner-all").attr("role","button").click(function(e){e.preventDefault(),t.close(e)}).appendTo(o),(this.uiDialogTitlebarCloseText=e("<span>")).addClass("ui-icon ui-icon-closethick").text(r.closeText).appendTo(u),a=e("<span>").uniqueId().addClass("ui-dialog-title").html(i).prependTo(o),f=(this.uiDialogButtonPane=e("<div>")).addClass("ui-dialog-buttonpane ui-widget-content ui-helper-clearfix"),(this.uiButtonSet=e("<div>")).addClass("ui-dialog-buttonset").appendTo(f),s.attr({role:"dialog","aria-labelledby":a.attr("id")}),o.find("*").add(o).disableSelection(),this._hoverable(u),this._focusable(u),r.draggable&&e.fn.draggable&&this._makeDraggable(),r.resizable&&e.fn.resizable&&this._makeResizable(),this._createButtons(r.buttons),this._isOpen=!1,e.fn.bgiframe&&s.bgiframe(),this._on(s,{keydown:function(t){if(!r.modal||t.keyCode!==e.ui.keyCode.TAB)return;var n=e(":tabbable",s),i=n.filter(":first"),o=n.filter(":last");if(t.target===o[0]&&!t.shiftKey)return i.focus(1),!1;if(t.target===i[0]&&t.shiftKey)return o.focus(1),!1}})},_init:function(){this.options.autoOpen&&this.open()},_destroy:function(){var e,t=this.oldPosition;this.overlay&&this.overlay.destroy(),this.uiDialog.hide(),this.element.removeClass("ui-dialog-content ui-widget-content").hide().appendTo("body"),this.uiDialog.remove(),this.originalTitle&&this.element.attr("title",this.originalTitle),e=t.parent.children().eq(t.index),e.length&&e[0]!==this.element[0]?e.before(this.element):t.parent.append(this.element)},widget:function(){return this.uiDialog},close:function(t){var n=this,r,i;if(!this._isOpen)return;if(!1===this._trigger("beforeClose",t))return;return this._isOpen=!1,this.overlay&&this.overlay.destroy(),this.options.hide?this._hide(this.uiDialog,this.options.hide,function(){n._trigger("close",t)}):(this.uiDialog.hide(),this._trigger("close",t)),e.ui.dialog.overlay.resize(),this.options.modal&&(r=0,e(".ui-dialog").each(function(){this!==n.uiDialog[0]&&(i=e(this).css("z-index"),isNaN(i)||(r=Math.max(r,i)))}),e.ui.dialog.maxZ=r),this},isOpen:function(){return this._isOpen},moveToTop:function(t,n){var r=this.options,i;return r.modal&&!t||!r.stack&&!r.modal?this._trigger("focus",n):(r.zIndex>e.ui.dialog.maxZ&&(e.ui.dialog.maxZ=r.zIndex),this.overlay&&(e.ui.dialog.maxZ+=1,e.ui.dialog.overlay.maxZ=e.ui.dialog.maxZ,this.overlay.$el.css("z-index",e.ui.dialog.overlay.maxZ)),i={scrollTop:this.element.scrollTop(),scrollLeft:this.element.scrollLeft()},e.ui.dialog.maxZ+=1,this.uiDialog.css("z-index",e.ui.dialog.maxZ),this.element.attr(i),this._trigger("focus",n),this)},open:function(){if(this._isOpen)return;var t,n=this.options,r=this.uiDialog;return this._size(),this._position(n.position),r.show(n.show),this.overlay=n.modal?new e.ui.dialog.overlay(this):null,this.moveToTop(!0),t=this.element.find(":tabbable"),t.length||(t=this.uiDialogButtonPane.find(":tabbable"),t.length||(t=r)),t.eq(0).focus(),this._isOpen=!0,this._trigger("open"),this},_createButtons:function(t){var n=this,r=!1;this.uiDialogButtonPane.remove(),this.uiButtonSet.empty(),typeof t=="object"&&t!==null&&e.each(t,function(){return!(r=!0)}),r?(e.each(t,function(t,r){var i,s;r=e.isFunction(r)?{click:r,text:t}:r,r=e.extend({type:"button"},r),s=r.click,r.click=function(){s.apply(n.element[0],arguments)},i=e("<button></button>",r).appendTo(n.uiButtonSet),e.fn.button&&i.button()}),this.uiDialog.addClass("ui-dialog-buttons"),this.uiDialogButtonPane.appendTo(this.uiDialog)):this.uiDialog.removeClass("ui-dialog-buttons")},_makeDraggable:function(){function r(e){return{position:e.position,offset:e.offset}}var t=this,n=this.options;this.uiDialog.draggable({cancel:".ui-dialog-content, .ui-dialog-titlebar-close",handle:".ui-dialog-titlebar",containment:"document",start:function(n,i){e(this).addClass("ui-dialog-dragging"),t._trigger("dragStart",n,r(i))},drag:function(e,n){t._trigger("drag",e,r(n))},stop:function(i,s){n.position=[s.position.left-t.document.scrollLeft(),s.position.top-t.document.scrollTop()],e(this).removeClass("ui-dialog-dragging"),t._trigger("dragStop",i,r(s)),e.ui.dialog.overlay.resize()}})},_makeResizable:function(n){function u(e){return{originalPosition:e.originalPosition,originalSize:e.originalSize,position:e.position,size:e.size}}n=n===t?this.options.resizable:n;var r=this,i=this.options,s=this.uiDialog.css("position"),o=typeof n=="string"?n:"n,e,s,w,se,sw,ne,nw";this.uiDialog.resizable({cancel:".ui-dialog-content",containment:"document",alsoResize:this.element,maxWidth:i.maxWidth,maxHeight:i.maxHeight,minWidth:i.minWidth,minHeight:this._minHeight(),handles:o,start:function(t,n){e(this).addClass("ui-dialog-resizing"),r._trigger("resizeStart",t,u(n))},resize:function(e,t){r._trigger("resize",e,u(t))},stop:function(t,n){e(this).removeClass("ui-dialog-resizing"),i.height=e(this).height(),i.width=e(this).width(),r._trigger("resizeStop",t,u(n)),e.ui.dialog.overlay.resize()}}).css("position",s).find(".ui-resizable-se").addClass("ui-icon ui-icon-grip-diagonal-se")},_minHeight:function(){var e=this.options;return e.height==="auto"?e.minHeight:Math.min(e.minHeight,e.height)},_position:function(t){var n=[],r=[0,0],i;if(t){if(typeof t=="string"||typeof t=="object"&&"0"in t)n=t.split?t.split(" "):[t[0],t[1]],n.length===1&&(n[1]=n[0]),e.each(["left","top"],function(e,t){+n[e]===n[e]&&(r[e]=n[e],n[e]=t)}),t={my:n[0]+(r[0]<0?r[0]:"+"+r[0])+" "+n[1]+(r[1]<0?r[1]:"+"+r[1]),at:n.join(" ")};t=e.extend({},e.ui.dialog.prototype.options.position,t)}else t=e.ui.dialog.prototype.options.position;i=this.uiDialog.is(":visible"),i||this.uiDialog.show(),this.uiDialog.position(t),i||this.uiDialog.hide()},_setOptions:function(t){var n=this,s={},o=!1;e.each(t,function(e,t){n._setOption(e,t),e in r&&(o=!0),e in i&&(s[e]=t)}),o&&this._size(),this.uiDialog.is(":data(resizable)")&&this.uiDialog.resizable("option",s)},_setOption:function(t,r){var i,s,o=this.uiDialog;switch(t){case"buttons":this._createButtons(r);break;case"closeText":this.uiDialogTitlebarCloseText.text(""+r);break;case"dialogClass":o.removeClass(this.options.dialogClass).addClass(n+r);break;case"disabled":r?o.addClass("ui-dialog-disabled"):o.removeClass("ui-dialog-disabled");break;case"draggable":i=o.is(":data(draggable)"),i&&!r&&o.draggable("destroy"),!i&&r&&this._makeDraggable();break;case"position":this._position(r);break;case"resizable":s=o.is(":data(resizable)"),s&&!r&&o.resizable("destroy"),s&&typeof r=="string"&&o.resizable("option","handles",r),!s&&r!==!1&&this._makeResizable(r);break;case"title":e(".ui-dialog-title",this.uiDialogTitlebar).html(""+(r||" "))}this._super(t,r)},_size:function(){var t,n,r,i=this.options,s=this.uiDialog.is(":visible");this.element.show().css({width:"auto",minHeight:0,height:0}),i.minWidth>i.width&&(i.width=i.minWidth),t=this.uiDialog.css({height:"auto",width:i.width}).outerHeight(),n=Math.max(0,i.minHeight-t),i.height==="auto"?e.support.minHeight?this.element.css({minHeight:n,height:"auto"}):(this.uiDialog.show(),r=this.element.css("height","auto").height(),s||this.uiDialog.hide(),this.element.height(Math.max(r,n))):this.element.height(Math.max(i.height-t,0)),this.uiDialog.is(":data(resizable)")&&this.uiDialog.resizable("option","minHeight",this._minHeight())}}),e.extend(e.ui.dialog,{uuid:0,maxZ:0,getTitleId:function(e){var t=e.attr("id");return t||(this.uuid+=1,t=this.uuid),"ui-dialog-title-"+t},overlay:function(t){this.$el=e.ui.dialog.overlay.create(t)}}),e.extend(e.ui.dialog.overlay,{instances:[],oldInstances:[],maxZ:0,events:e.map("focus,mousedown,mouseup,keydown,keypress,click".split(","),function(e){return e+".dialog-overlay"}).join(" "),create:function(t){this.instances.length===0&&(setTimeout(function(){e.ui.dialog.overlay.instances.length&&e(document).bind(e.ui.dialog.overlay.events,function(t){if(e(t.target).zIndex()<e.ui.dialog.overlay.maxZ)return!1})},1),e(window).bind("resize.dialog-overlay",e.ui.dialog.overlay.resize));var n=this.oldInstances.pop()||e("<div>").addClass("ui-widget-overlay");return e(document).bind("keydown.dialog-overlay",function(r){var i=e.ui.dialog.overlay.instances;i.length!==0&&i[i.length-1]===n&&t.options.closeOnEscape&&!r.isDefaultPrevented()&&r.keyCode&&r.keyCode===e.ui.keyCode.ESCAPE&&(t.close(r),r.preventDefault())}),n.appendTo(document.body).css({width:this.width(),height:this.height()}),e.fn.bgiframe&&n.bgiframe(),this.instances.push(n),n},destroy:function(t){var n=e.inArray(t,this.instances),r=0;n!==-1&&this.oldInstances.push(this.instances.splice(n,1)[0]),this.instances.length===0&&e([document,window]).unbind(".dialog-overlay"),t.height(0).width(0).remove(),e.each(this.instances,function(){r=Math.max(r,this.css("z-index"))}),this.maxZ=r},height:function(){var t,n;return e.ui.ie?(t=Math.max(document.documentElement.scrollHeight,document.body.scrollHeight),n=Math.max(document.documentElement.offsetHeight,document.body.offsetHeight),t<n?e(window).height()+"px":t+"px"):e(document).height()+"px"},width:function(){var t,n;return e.ui.ie?(t=Math.max(document.documentElement.scrollWidth,document.body.scrollWidth),n=Math.max(document.documentElement.offsetWidth,document.body.offsetWidth),t<n?e(window).width()+"px":t+"px"):e(document).width()+"px"},resize:function(){var t=e([]);e.each(e.ui.dialog.overlay.instances,function(){t=t.add(this)}),t.css({width:0,height:0}).css({width:e.ui.dialog.overlay.width(),height:e.ui.dialog.overlay.height()})}}),e.extend(e.ui.dialog.overlay.prototype,{destroy:function(){e.ui.dialog.overlay.destroy(this.$el)}})})(jQuery);(function(e,t){var n=!1;e.widget("ui.menu",{version:"1.9.2",defaultElement:"<ul>",delay:300,options:{icons:{submenu:"ui-icon-carat-1-e"},menus:"ul",position:{my:"left top",at:"right top"},role:"menu",blur:null,focus:null,select:null},_create:function(){this.activeMenu=this.element,this.element.uniqueId().addClass("ui-menu ui-widget ui-widget-content ui-corner-all").toggleClass("ui-menu-icons",!!this.element.find(".ui-icon").length).attr({role:this.options.role,tabIndex:0}).bind("click"+this.eventNamespace,e.proxy(function(e){this.options.disabled&&e.preventDefault()},this)),this.options.disabled&&this.element.addClass("ui-state-disabled").attr("aria-disabled","true"),this._on({"mousedown .ui-menu-item > a":function(e){e.preventDefault()},"click .ui-state-disabled > a":function(e){e.preventDefault()},"click .ui-menu-item:has(a)":function(t){var r=e(t.target).closest(".ui-menu-item");!n&&r.not(".ui-state-disabled").length&&(n=!0,this.select(t),r.has(".ui-menu").length?this.expand(t):this.element.is(":focus")||(this.element.trigger("focus",[!0]),this.active&&this.active.parents(".ui-menu").length===1&&clearTimeout(this.timer)))},"mouseenter .ui-menu-item":function(t){var n=e(t.currentTarget);n.siblings().children(".ui-state-active").removeClass("ui-state-active"),this.focus(t,n)},mouseleave:"collapseAll","mouseleave .ui-menu":"collapseAll",focus:function(e,t){var n=this.active||this.element.children(".ui-menu-item").eq(0);t||this.focus(e,n)},blur:function(t){this._delay(function(){e.contains(this.element[0],this.document[0].activeElement)||this.collapseAll(t)})},keydown:"_keydown"}),this.refresh(),this._on(this.document,{click:function(t){e(t.target).closest(".ui-menu").length||this.collapseAll(t),n=!1}})},_destroy:function(){this.element.removeAttr("aria-activedescendant").find(".ui-menu").andSelf().removeClass("ui-menu ui-widget ui-widget-content ui-corner-all ui-menu-icons").removeAttr("role").removeAttr("tabIndex").removeAttr("aria-labelledby").removeAttr("aria-expanded").removeAttr("aria-hidden").removeAttr("aria-disabled").removeUniqueId().show(),this.element.find(".ui-menu-item").removeClass("ui-menu-item").removeAttr("role").removeAttr("aria-disabled").children("a").removeUniqueId().removeClass("ui-corner-all ui-state-hover").removeAttr("tabIndex").removeAttr("role").removeAttr("aria-haspopup").children().each(function(){var t=e(this);t.data("ui-menu-submenu-carat")&&t.remove()}),this.element.find(".ui-menu-divider").removeClass("ui-menu-divider ui-widget-content")},_keydown:function(t){function a(e){return e.replace(/[\-\[\]{}()*+?.,\\\^$|#\s]/g,"\\$&")}var n,r,i,s,o,u=!0;switch(t.keyCode){case e.ui.keyCode.PAGE_UP:this.previousPage(t);break;case e.ui.keyCode.PAGE_DOWN:this.nextPage(t);break;case e.ui.keyCode.HOME:this._move("first","first",t);break;case e.ui.keyCode.END:this._move("last","last",t);break;case e.ui.keyCode.UP:this.previous(t);break;case e.ui.keyCode.DOWN:this.next(t);break;case e.ui.keyCode.LEFT:this.collapse(t);break;case e.ui.keyCode.RIGHT:this.active&&!this.active.is(".ui-state-disabled")&&this.expand(t);break;case e.ui.keyCode.ENTER:case e.ui.keyCode.SPACE:this._activate(t);break;case e.ui.keyCode.ESCAPE:this.collapse(t);break;default:u=!1,r=this.previousFilter||"",i=String.fromCharCode(t.keyCode),s=!1,clearTimeout(this.filterTimer),i===r?s=!0:i=r+i,o=new 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trunk/cantharella.web/src/main/webapp/js/moleditor.js (rev 0) +++ trunk/cantharella.web/src/main/webapp/js/moleditor.js 2013-01-24 11:34:39 UTC (rev 57) @@ -0,0 +1,38 @@ +function addEditorMolecule(tagId) { + if (tagId) { + tagId = '#' + tagId.replace( /(:|\.)/g, "\\$1" ); + } else { + tagId = '[formula]'; + } + + $(tagId).each(function(i, formulaTag) { + // il faut faire un substring de 1 car on a ajoute un caractere pour + // forcer l'existance du tag' + var formulaString = $(formulaTag).attr('formula').substring(1); + var id = $(formulaTag).attr('id'); + $(formulaTag).after("<div><canvas id='"+id+"'/><div>"); + + // changes the default JMol color of hydrogen to black so it appears on white backgrounds + ChemDoodle.ELEMENT['H'].jmolColor = 'black'; + // darkens the default JMol color of sulfur so it appears on white backgrounds + ChemDoodle.ELEMENT['S'].jmolColor = '#B9A130'; + var sketcher = new ChemDoodle.SketcherCanvas(id, 500, 300,{oneMolecule:true}); + sketcher.specs.atoms_displayTerminalCarbonLabels_2D = true; + sketcher.specs.atoms_useJMOLColors = true; + sketcher.specs.bonds_clearOverlaps_2D = true; + sketcher.repaint(); + + // on se met listener du submit de la form pour pousser la molecule + // editer dans le champs de sauvegarde + $(formulaTag).parents('form').submit(function() { + var mol = sketcher.getMolecule(); + var molString = ChemDoodle.writeMOL(mol); + $(formulaTag).val(molString); + return true; + }); + + var formula = ChemDoodle.readMOL(formulaString); + sketcher.loadMolecule(formula); + }); + +} Added: trunk/cantharella.web/src/main/webapp/js/molviewer.js =================================================================== --- trunk/cantharella.web/src/main/webapp/js/molviewer.js (rev 0) +++ trunk/cantharella.web/src/main/webapp/js/molviewer.js 2013-01-24 11:34:39 UTC (rev 57) @@ -0,0 +1,28 @@ +function addViewerMolecule(tagId) { + if (tagId) { + tagId = '#' + tagId.replace( /(:|\.)/g, "\\$1" ); + } else { + tagId = '[formula]'; + } + + $(tagId).each(function(i, formulaTag) { + // il faut faire un substring de 1 car on a ajoute un caractere pour + // forcer l'existance du tag' + var formulaString = $(formulaTag).attr('formula').substring(1); + var id = $(formulaTag).attr('id'); + $(formulaTag).replaceWith("<canvas id='"+id+"'/>"); + + //initialize component and set visual specifications + var viewerCanvas = new ChemDoodle.ViewerCanvas(id, 100, 100); + viewerCanvas.specs.bonds_width_2D = .6; + viewerCanvas.specs.bonds_saturationWidth_2D = .18; + viewerCanvas.specs.bonds_hashSpacing_2D = 2.5; + viewerCanvas.specs.atoms_font_size_2D = 10; + viewerCanvas.specs.atoms_font_families_2D = ["Helvetica", "Arial", "sans-serif"]; + viewerCanvas.specs.atoms_displayTerminalCarbonLabels_2D = true; + + var formula = ChemDoodle.readMOL(formulaString); + viewerCanvas.loadMolecule(formula); + }); + +}