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classes/MoleculesDB.html

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 </div><div class="tsd-parameters"><h4 class="tsd-parameters-title">Parameters</h4><ul class="tsd-parameter-list"><li><span><span class="tsd-kind-parameter">molecule</span>: <span class="tsd-signature-type">Molecule</span></span><div class="tsd-comment tsd-typography"><p>The target molecule to which fragment labels will be applied.</p>
 </div><div class="tsd-comment tsd-typography"></div></li><li><span><span class="tsd-kind-parameter">fragment</span>: <span class="tsd-signature-type">Molecule</span></span><div class="tsd-comment tsd-typography"><p>The fragment molecule containing the labels to apply.</p>
 </div><div class="tsd-comment tsd-typography"></div></li><li><span><span class="tsd-kind-parameter">options</span>: <a href="../interfaces/ApplyFragmentLabelsOptions.html" class="tsd-signature-type tsd-kind-interface">ApplyFragmentLabelsOptions</a><span class="tsd-signature-symbol"> = {}</span></span><div class="tsd-comment tsd-typography"></div></li></ul></div><h4 class="tsd-returns-title">Returns <span class="tsd-signature-type">number</span></h4><p>The number of matches found</p>
-<div class="tsd-comment tsd-typography"></div><aside class="tsd-sources"><ul><li>Defined in <a href="https://github.com/cheminfo/openchemlib-utils/blob/6fe0f6717f3583ffa090f3ec243e31eb6bf028a3/src/util/applyFragmentLabels.ts#L32">util/applyFragmentLabels.ts:32</a></li></ul></aside></div></li></ul></section></div><div class="col-sidebar"><div class="page-menu"><div class="tsd-navigation settings"><details class="tsd-accordion"><summary class="tsd-accordion-summary"><svg width="20" height="20" viewBox="0 0 24 24" fill="none" aria-hidden="true"><use href="../assets/icons.svg#icon-chevronDown"></use></svg><h3>Settings</h3></summary><div class="tsd-accordion-details"><div class="tsd-filter-visibility"><span class="settings-label">Member Visibility</span><ul id="tsd-filter-options"><li class="tsd-filter-item"><label class="tsd-filter-input"><input type="checkbox" id="tsd-filter-protected" name="protected"/><svg width="32" height="32" viewBox="0 0 32 32" aria-hidden="true"><rect class="tsd-checkbox-background" width="30" height="30" x="1" y="1" rx="6" fill="none"></rect><path class="tsd-checkbox-checkmark" d="M8.35422 16.8214L13.2143 21.75L24.6458 10.25" stroke="none" stroke-width="3.5" stroke-linejoin="round" fill="none"></path></svg><span>Protected</span></label></li><li class="tsd-filter-item"><label class="tsd-filter-input"><input type="checkbox" id="tsd-filter-inherited" name="inherited" checked/><svg width="32" height="32" viewBox="0 0 32 32" aria-hidden="true"><rect class="tsd-checkbox-background" width="30" height="30" x="1" y="1" rx="6" fill="none"></rect><path class="tsd-checkbox-checkmark" d="M8.35422 16.8214L13.2143 21.75L24.6458 10.25" stroke="none" stroke-width="3.5" stroke-linejoin="round" fill="none"></path></svg><span>Inherited</span></label></li><li class="tsd-filter-item"><label class="tsd-filter-input"><input type="checkbox" id="tsd-filter-external" name="external"/><svg width="32" height="32" viewBox="0 0 32 32" aria-hidden="true"><rect class="tsd-checkbox-background" width="30" height="30" x="1" y="1" rx="6" fill="none"></rect><path class="tsd-checkbox-checkmark" d="M8.35422 16.8214L13.2143 21.75L24.6458 10.25" stroke="none" stroke-width="3.5" stroke-linejoin="round" fill="none"></path></svg><span>External</span></label></li></ul></div><div class="tsd-theme-toggle"><label class="settings-label" for="tsd-theme">Theme</label><select id="tsd-theme"><option value="os">OS</option><option value="light">Light</option><option value="dark">Dark</option></select></div></div></details></div></div><div class="site-menu"><nav class="tsd-navigation"><a href="../modules.html">openchemlib-utils</a><ul class="tsd-small-nested-navigation" id="tsd-nav-container"><li>Loading...</li></ul></nav></div></div></div><footer></footer><div class="overlay"></div></body></html>
+<div class="tsd-comment tsd-typography"></div><aside class="tsd-sources"><ul><li>Defined in <a href="https://github.com/cheminfo/openchemlib-utils/blob/5a29bb7f36ac87672db6e7b5be4e846e7e5fc2b2/src/util/applyFragmentLabels.ts#L32">util/applyFragmentLabels.ts:32</a></li></ul></aside></div></li></ul></section></div><div class="col-sidebar"><div class="page-menu"><div class="tsd-navigation settings"><details class="tsd-accordion"><summary class="tsd-accordion-summary"><svg width="20" height="20" viewBox="0 0 24 24" fill="none" aria-hidden="true"><use href="../assets/icons.svg#icon-chevronDown"></use></svg><h3>Settings</h3></summary><div class="tsd-accordion-details"><div class="tsd-filter-visibility"><span class="settings-label">Member Visibility</span><ul id="tsd-filter-options"><li class="tsd-filter-item"><label class="tsd-filter-input"><input type="checkbox" id="tsd-filter-protected" name="protected"/><svg width="32" height="32" viewBox="0 0 32 32" aria-hidden="true"><rect class="tsd-checkbox-background" width="30" height="30" x="1" y="1" rx="6" fill="none"></rect><path class="tsd-checkbox-checkmark" d="M8.35422 16.8214L13.2143 21.75L24.6458 10.25" stroke="none" stroke-width="3.5" stroke-linejoin="round" fill="none"></path></svg><span>Protected</span></label></li><li class="tsd-filter-item"><label class="tsd-filter-input"><input type="checkbox" id="tsd-filter-inherited" name="inherited" checked/><svg width="32" height="32" viewBox="0 0 32 32" aria-hidden="true"><rect class="tsd-checkbox-background" width="30" height="30" x="1" y="1" rx="6" fill="none"></rect><path class="tsd-checkbox-checkmark" d="M8.35422 16.8214L13.2143 21.75L24.6458 10.25" stroke="none" stroke-width="3.5" stroke-linejoin="round" fill="none"></path></svg><span>Inherited</span></label></li><li class="tsd-filter-item"><label class="tsd-filter-input"><input type="checkbox" id="tsd-filter-external" name="external"/><svg width="32" height="32" viewBox="0 0 32 32" aria-hidden="true"><rect class="tsd-checkbox-background" width="30" height="30" x="1" y="1" rx="6" fill="none"></rect><path class="tsd-checkbox-checkmark" d="M8.35422 16.8214L13.2143 21.75L24.6458 10.25" stroke="none" stroke-width="3.5" stroke-linejoin="round" fill="none"></path></svg><span>External</span></label></li></ul></div><div class="tsd-theme-toggle"><label class="settings-label" for="tsd-theme">Theme</label><select id="tsd-theme"><option value="os">OS</option><option value="light">Light</option><option value="dark">Dark</option></select></div></div></details></div></div><div class="site-menu"><nav class="tsd-navigation"><a href="../modules.html">openchemlib-utils</a><ul class="tsd-small-nested-navigation" id="tsd-nav-container"><li>Loading...</li></ul></nav></div></div></div><footer></footer><div class="overlay"></div></body></html>

classes/Reactions.html

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 <!DOCTYPE html><html class="default" lang="en" data-base="../"><head><meta charset="utf-8"/><meta http-equiv="x-ua-compatible" content="IE=edge"/><title>autoLabel | openchemlib-utils</title><meta name="description" content="Documentation for openchemlib-utils"/><meta name="viewport" content="width=device-width, initial-scale=1"/><link rel="stylesheet" href="../assets/style.css"/><link rel="stylesheet" href="../assets/highlight.css"/><script defer src="../assets/main.js"></script><script async src="../assets/icons.js" id="tsd-icons-script"></script><script async src="../assets/search.js" id="tsd-search-script"></script><script async src="../assets/navigation.js" id="tsd-nav-script"></script></head><body><script>document.documentElement.dataset.theme = localStorage.getItem("tsd-theme") || "os";document.body.style.display="none";setTimeout(() => window.app?app.showPage():document.body.style.removeProperty("display"),500)</script><header class="tsd-page-toolbar"><div class="tsd-toolbar-contents container"><a href="../index.html" class="title">openchemlib-utils</a><div id="tsd-toolbar-links"></div><button id="tsd-search-trigger" class="tsd-widget" aria-label="Search"><svg width="16" height="16" viewBox="0 0 16 16" fill="none" aria-hidden="true"><use href="../assets/icons.svg#icon-search"></use></svg></button><dialog id="tsd-search" aria-label="Search"><input role="combobox" id="tsd-search-input" aria-controls="tsd-search-results" aria-autocomplete="list" aria-expanded="true" autocapitalize="off" autocomplete="off" placeholder="Search the docs" maxLength="100"/><ul role="listbox" id="tsd-search-results"></ul><div id="tsd-search-status" aria-live="polite" aria-atomic="true"><div>Preparing search index...</div></div></dialog><a href="#" class="tsd-widget menu" id="tsd-toolbar-menu-trigger" data-toggle="menu" aria-label="Menu"><svg width="16" height="16" viewBox="0 0 16 16" fill="none" aria-hidden="true"><use href="../assets/icons.svg#icon-menu"></use></svg></a></div></header><div class="container container-main"><div class="col-content"><div class="tsd-page-title"><ul class="tsd-breadcrumb" aria-label="Breadcrumb"><li><a href="" aria-current="page">autoLabel</a></li></ul><h1>Function autoLabel</h1></div><section class="tsd-panel"><ul class="tsd-signatures"><li class=""><div class="tsd-signature tsd-anchor-link" id="autolabel"><span class="tsd-kind-call-signature">autoLabel</span><span class="tsd-signature-symbol">(</span><span class="tsd-kind-parameter">molecule</span><span class="tsd-signature-symbol">:</span> <span class="tsd-signature-type">Molecule</span><span class="tsd-signature-symbol">)</span><span class="tsd-signature-symbol">:</span> <span class="tsd-signature-type">void</span><a href="#autolabel" aria-label="Permalink" class="tsd-anchor-icon"><svg viewBox="0 0 24 24" aria-hidden="true"><use href="../assets/icons.svg#icon-anchor"></use></svg></a></div><div class="tsd-description"><div class="tsd-comment tsd-typography"><p>In place modification of the molecule to add auto labels to its atoms based on
 a database of common substructures.</p>
-</div><div class="tsd-parameters"><h4 class="tsd-parameters-title">Parameters</h4><ul class="tsd-parameter-list"><li><span><span class="tsd-kind-parameter">molecule</span>: <span class="tsd-signature-type">Molecule</span></span><div class="tsd-comment tsd-typography"></div></li></ul></div><h4 class="tsd-returns-title">Returns <span class="tsd-signature-type">void</span></h4><div class="tsd-comment tsd-typography"></div><aside class="tsd-sources"><ul><li>Defined in <a href="https://github.com/cheminfo/openchemlib-utils/blob/6fe0f6717f3583ffa090f3ec243e31eb6bf028a3/src/util/autoLabel.ts#L11">util/autoLabel.ts:11</a></li></ul></aside></div></li></ul></section></div><div class="col-sidebar"><div class="page-menu"><div class="tsd-navigation settings"><details class="tsd-accordion"><summary class="tsd-accordion-summary"><svg width="20" height="20" viewBox="0 0 24 24" fill="none" aria-hidden="true"><use href="../assets/icons.svg#icon-chevronDown"></use></svg><h3>Settings</h3></summary><div class="tsd-accordion-details"><div class="tsd-filter-visibility"><span class="settings-label">Member Visibility</span><ul id="tsd-filter-options"><li class="tsd-filter-item"><label class="tsd-filter-input"><input type="checkbox" id="tsd-filter-protected" name="protected"/><svg width="32" height="32" viewBox="0 0 32 32" aria-hidden="true"><rect class="tsd-checkbox-background" width="30" height="30" x="1" y="1" rx="6" fill="none"></rect><path class="tsd-checkbox-checkmark" d="M8.35422 16.8214L13.2143 21.75L24.6458 10.25" stroke="none" stroke-width="3.5" stroke-linejoin="round" fill="none"></path></svg><span>Protected</span></label></li><li class="tsd-filter-item"><label class="tsd-filter-input"><input type="checkbox" id="tsd-filter-inherited" name="inherited" checked/><svg width="32" height="32" viewBox="0 0 32 32" aria-hidden="true"><rect class="tsd-checkbox-background" width="30" height="30" x="1" y="1" rx="6" fill="none"></rect><path class="tsd-checkbox-checkmark" d="M8.35422 16.8214L13.2143 21.75L24.6458 10.25" stroke="none" stroke-width="3.5" stroke-linejoin="round" fill="none"></path></svg><span>Inherited</span></label></li><li class="tsd-filter-item"><label class="tsd-filter-input"><input type="checkbox" id="tsd-filter-external" name="external"/><svg width="32" height="32" viewBox="0 0 32 32" aria-hidden="true"><rect class="tsd-checkbox-background" width="30" height="30" x="1" y="1" rx="6" fill="none"></rect><path class="tsd-checkbox-checkmark" d="M8.35422 16.8214L13.2143 21.75L24.6458 10.25" stroke="none" stroke-width="3.5" stroke-linejoin="round" fill="none"></path></svg><span>External</span></label></li></ul></div><div class="tsd-theme-toggle"><label class="settings-label" for="tsd-theme">Theme</label><select id="tsd-theme"><option value="os">OS</option><option value="light">Light</option><option value="dark">Dark</option></select></div></div></details></div></div><div class="site-menu"><nav class="tsd-navigation"><a href="../modules.html">openchemlib-utils</a><ul class="tsd-small-nested-navigation" id="tsd-nav-container"><li>Loading...</li></ul></nav></div></div></div><footer></footer><div class="overlay"></div></body></html>
+</div><div class="tsd-parameters"><h4 class="tsd-parameters-title">Parameters</h4><ul class="tsd-parameter-list"><li><span><span class="tsd-kind-parameter">molecule</span>: <span class="tsd-signature-type">Molecule</span></span><div class="tsd-comment tsd-typography"></div></li></ul></div><h4 class="tsd-returns-title">Returns <span class="tsd-signature-type">void</span></h4><div class="tsd-comment tsd-typography"></div><aside class="tsd-sources"><ul><li>Defined in <a href="https://github.com/cheminfo/openchemlib-utils/blob/5a29bb7f36ac87672db6e7b5be4e846e7e5fc2b2/src/util/autoLabel.ts#L11">util/autoLabel.ts:11</a></li></ul></aside></div></li></ul></section></div><div class="col-sidebar"><div class="page-menu"><div class="tsd-navigation settings"><details class="tsd-accordion"><summary class="tsd-accordion-summary"><svg width="20" height="20" viewBox="0 0 24 24" fill="none" aria-hidden="true"><use href="../assets/icons.svg#icon-chevronDown"></use></svg><h3>Settings</h3></summary><div class="tsd-accordion-details"><div class="tsd-filter-visibility"><span class="settings-label">Member Visibility</span><ul id="tsd-filter-options"><li class="tsd-filter-item"><label class="tsd-filter-input"><input type="checkbox" id="tsd-filter-protected" name="protected"/><svg width="32" height="32" viewBox="0 0 32 32" aria-hidden="true"><rect class="tsd-checkbox-background" width="30" height="30" x="1" y="1" rx="6" fill="none"></rect><path class="tsd-checkbox-checkmark" d="M8.35422 16.8214L13.2143 21.75L24.6458 10.25" stroke="none" stroke-width="3.5" stroke-linejoin="round" fill="none"></path></svg><span>Protected</span></label></li><li class="tsd-filter-item"><label class="tsd-filter-input"><input type="checkbox" id="tsd-filter-inherited" name="inherited" checked/><svg width="32" height="32" viewBox="0 0 32 32" aria-hidden="true"><rect class="tsd-checkbox-background" width="30" height="30" x="1" y="1" rx="6" fill="none"></rect><path class="tsd-checkbox-checkmark" d="M8.35422 16.8214L13.2143 21.75L24.6458 10.25" stroke="none" stroke-width="3.5" stroke-linejoin="round" fill="none"></path></svg><span>Inherited</span></label></li><li class="tsd-filter-item"><label class="tsd-filter-input"><input type="checkbox" id="tsd-filter-external" name="external"/><svg width="32" height="32" viewBox="0 0 32 32" aria-hidden="true"><rect class="tsd-checkbox-background" width="30" height="30" x="1" y="1" rx="6" fill="none"></rect><path class="tsd-checkbox-checkmark" d="M8.35422 16.8214L13.2143 21.75L24.6458 10.25" stroke="none" stroke-width="3.5" stroke-linejoin="round" fill="none"></path></svg><span>External</span></label></li></ul></div><div class="tsd-theme-toggle"><label class="settings-label" for="tsd-theme">Theme</label><select id="tsd-theme"><option value="os">OS</option><option value="light">Light</option><option value="dark">Dark</option></select></div></div></details></div></div><div class="site-menu"><nav class="tsd-navigation"><a href="../modules.html">openchemlib-utils</a><ul class="tsd-small-nested-navigation" id="tsd-nav-container"><li>Loading...</li></ul></nav></div></div></div><footer></footer><div class="overlay"></div></body></html>