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xiaoruiDong committed Nov 28, 2023
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2 changes: 1 addition & 1 deletion _static/scripts/pydata-sphinx-theme.js
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2 changes: 1 addition & 1 deletion _static/scripts/pydata-sphinx-theme.js.map
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2 changes: 1 addition & 1 deletion _static/styles/pydata-sphinx-theme.css
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2 changes: 1 addition & 1 deletion _static/styles/pydata-sphinx-theme.css.map
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18 changes: 9 additions & 9 deletions _static/webpack-macros.html
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-->
{# Load FontAwesome icons #}
{% macro head_pre_icons() %}
<link href="{{ pathto('_static/vendor/fontawesome/6.1.2/css/all.min.css', 1) }}?digest=365ca57ee442770a23c6" rel="stylesheet" />
<link href="{{ pathto('_static/vendor/fontawesome/6.1.2/css/all.min.css', 1) }}?digest=5b4479735964841361fd" rel="stylesheet" />
<link rel="preload" as="font" type="font/woff2" crossorigin href="{{ pathto('_static/vendor/fontawesome/6.1.2/webfonts/fa-solid-900.woff2', 1) }}" />
<link rel="preload" as="font" type="font/woff2" crossorigin href="{{ pathto('_static/vendor/fontawesome/6.1.2/webfonts/fa-brands-400.woff2', 1) }}" />
<link rel="preload" as="font" type="font/woff2" crossorigin href="{{ pathto('_static/vendor/fontawesome/6.1.2/webfonts/fa-regular-400.woff2', 1) }}" />
{% endmacro %}

{% macro head_pre_assets() %}
<!-- Loaded before other Sphinx assets -->
<link href="{{ pathto('_static/styles/theme.css', 1) }}?digest=365ca57ee442770a23c6" rel="stylesheet" />
<link href="{{ pathto('_static/styles/bootstrap.css', 1) }}?digest=365ca57ee442770a23c6" rel="stylesheet" />
<link href="{{ pathto('_static/styles/pydata-sphinx-theme.css', 1) }}?digest=365ca57ee442770a23c6" rel="stylesheet" />
<link href="{{ pathto('_static/styles/theme.css', 1) }}?digest=5b4479735964841361fd" rel="stylesheet" />
<link href="{{ pathto('_static/styles/bootstrap.css', 1) }}?digest=5b4479735964841361fd" rel="stylesheet" />
<link href="{{ pathto('_static/styles/pydata-sphinx-theme.css', 1) }}?digest=5b4479735964841361fd" rel="stylesheet" />
{% endmacro %}

{% macro head_js_preload() %}
<!-- Pre-loaded scripts that we'll load fully later -->
<link rel="preload" as="script" href="{{ pathto('_static/scripts/bootstrap.js', 1) }}?digest=365ca57ee442770a23c6" />
<link rel="preload" as="script" href="{{ pathto('_static/scripts/pydata-sphinx-theme.js', 1) }}?digest=365ca57ee442770a23c6" />
<script src="{{ pathto('_static/vendor/fontawesome/6.1.2/js/all.min.js', 1) }}?digest=365ca57ee442770a23c6"></script>
<link rel="preload" as="script" href="{{ pathto('_static/scripts/bootstrap.js', 1) }}?digest=5b4479735964841361fd" />
<link rel="preload" as="script" href="{{ pathto('_static/scripts/pydata-sphinx-theme.js', 1) }}?digest=5b4479735964841361fd" />
<script src="{{ pathto('_static/vendor/fontawesome/6.1.2/js/all.min.js', 1) }}?digest=5b4479735964841361fd"></script>
{% endmacro %}

{% macro body_post() %}
<!-- Scripts loaded after <body> so the DOM is not blocked -->
<script src="{{ pathto('_static/scripts/bootstrap.js', 1) }}?digest=365ca57ee442770a23c6"></script>
<script src="{{ pathto('_static/scripts/pydata-sphinx-theme.js', 1) }}?digest=365ca57ee442770a23c6"></script>
<script src="{{ pathto('_static/scripts/bootstrap.js', 1) }}?digest=5b4479735964841361fd"></script>
<script src="{{ pathto('_static/scripts/pydata-sphinx-theme.js', 1) }}?digest=5b4479735964841361fd"></script>
{% endmacro %}
65 changes: 27 additions & 38 deletions genindex.html
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<!DOCTYPE html>


<html lang="en" >
<html lang="en" data-content_root="./" >

<head>
<meta charset="utf-8" />
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</script>

<!-- Loaded before other Sphinx assets -->
<link href="_static/styles/theme.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
<link href="_static/styles/bootstrap.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
<link href="_static/styles/pydata-sphinx-theme.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
<link href="_static/styles/theme.css?digest=5b4479735964841361fd" rel="stylesheet" />
<link href="_static/styles/bootstrap.css?digest=5b4479735964841361fd" rel="stylesheet" />
<link href="_static/styles/pydata-sphinx-theme.css?digest=5b4479735964841361fd" rel="stylesheet" />


<link href="_static/vendor/fontawesome/6.1.2/css/all.min.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
<link href="_static/vendor/fontawesome/6.1.2/css/all.min.css?digest=5b4479735964841361fd" rel="stylesheet" />
<link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.1.2/webfonts/fa-solid-900.woff2" />
<link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.1.2/webfonts/fa-brands-400.woff2" />
<link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.1.2/webfonts/fa-regular-400.woff2" />
Expand All @@ -31,9 +31,9 @@
<link rel="stylesheet" type="text/css" href="_static/custom.css?v=188e8da4" />

<!-- Pre-loaded scripts that we'll load fully later -->
<link rel="preload" as="script" href="_static/scripts/bootstrap.js?digest=365ca57ee442770a23c6" />
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=365ca57ee442770a23c6" />
<script src="_static/vendor/fontawesome/6.1.2/js/all.min.js?digest=365ca57ee442770a23c6"></script>
<link rel="preload" as="script" href="_static/scripts/bootstrap.js?digest=5b4479735964841361fd" />
<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=5b4479735964841361fd" />
<script src="_static/vendor/fontawesome/6.1.2/js/all.min.js?digest=5b4479735964841361fd"></script>

<script src="_static/documentation_options.js?v=2709fde1"></script>
<script src="_static/doctools.js?v=888ff710"></script>
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<div class="col-lg-3 navbar-header-items__start">

<div class="navbar-item">



<a class="navbar-brand logo" href="index.html">
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<div class="me-auto navbar-header-items__center">

<div class="navbar-item"><nav class="navbar-nav">
<div class="navbar-item">
<nav class="navbar-nav">
<p class="sidebar-header-items__title"
role="heading"
aria-level="1"
Expand Down Expand Up @@ -175,6 +177,7 @@

<div class="navbar-item navbar-persistent--container">


<script>
document.write(`
<button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
Expand All @@ -188,6 +191,7 @@


<div class="navbar-item">

<script>
document.write(`
<button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
Expand Down Expand Up @@ -220,6 +224,7 @@


<div class="navbar-persistent--mobile">

<script>
document.write(`
<button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
Expand Down Expand Up @@ -249,7 +254,8 @@

<div class="sidebar-header-items__center">

<div class="navbar-item"><nav class="navbar-nav">
<div class="navbar-item">
<nav class="navbar-nav">
<p class="sidebar-header-items__title"
role="heading"
aria-level="1"
Expand Down Expand Up @@ -295,6 +301,7 @@
<div class="sidebar-header-items__end">

<div class="navbar-item">

<script>
document.write(`
<button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
Expand Down Expand Up @@ -523,13 +530,9 @@ <h2 id="G">G</h2>
<li><a href="reference/forcefield.html#rdmc.forcefield.RDKitFF.get_optimized_mol">(rdmc.forcefield.RDKitFF method)</a>
</li>
</ul></li>
<li><a href="reference/mol_compare.html#rdmc.mol_compare.get_resonance_structure_match">get_resonance_structure_match() (in module rdmc.mol_compare)</a>
</li>
<li><a href="reference/forcefield.html#rdmc.forcefield.get_roo_radical_atoms">get_roo_radical_atoms() (in module rdmc.forcefield)</a>
</li>
<li><a href="reference/utils.html#rdmc.utils.get_substruct_match_and_recover_recipe">get_substruct_match_and_recover_recipe() (in module rdmc.utils)</a>
</li>
<li><a href="reference/mol_compare.html#rdmc.mol_compare.get_unique_mols">get_unique_mols() (in module rdmc.mol_compare)</a>
</li>
<li><a href="reference/mol.html#rdmc.mol.RDKitMol.GetAdjacencyMatrix">GetAdjacencyMatrix() (rdmc.mol.RDKitMol method)</a>
</li>
Expand All @@ -543,10 +546,10 @@ <h2 id="G">G</h2>
</li>
<li><a href="reference/mol.html#rdmc.mol.RDKitMol.GetAtoms">GetAtoms() (rdmc.mol.RDKitMol method)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="reference/mol.html#rdmc.mol.RDKitMol.GetBestAlign">GetBestAlign() (rdmc.mol.RDKitMol method)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="reference/mol.html#rdmc.mol.RDKitMol.GetBondsAsTuples">GetBondsAsTuples() (rdmc.mol.RDKitMol method)</a>
</li>
<li><a href="reference/mol.html#rdmc.mol.RDKitMol.GetClosedShellMol">GetClosedShellMol() (rdmc.mol.RDKitMol method)</a>
Expand Down Expand Up @@ -595,8 +598,6 @@ <h2 id="G">G</h2>
<h2 id="H">H</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="reference/mol_compare.html#rdmc.mol_compare.has_matched_mol">has_matched_mol() (in module rdmc.mol_compare)</a>
</li>
<li><a href="reference/mol.html#rdmc.mol.RDKitMol.HasCollidingAtoms">HasCollidingAtoms() (rdmc.mol.RDKitMol method)</a>
</li>
</ul></td>
Expand All @@ -611,19 +612,13 @@ <h2 id="H">H</h2>
<h2 id="I">I</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="reference/mol_compare.html#rdmc.mol_compare.is_equivalent_reaction">is_equivalent_reaction() (in module rdmc.mol_compare)</a>
</li>
<li><a href="reference/forcefield.html#rdmc.forcefield.OpenBabelFF.is_optimizable">is_optimizable() (rdmc.forcefield.OpenBabelFF method)</a>

<ul>
<li><a href="reference/forcefield.html#rdmc.forcefield.RDKitFF.is_optimizable">(rdmc.forcefield.RDKitFF method)</a>
</li>
</ul></li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="reference/mol_compare.html#rdmc.mol_compare.is_same_complex">is_same_complex() (in module rdmc.mol_compare)</a>
</li>
</ul></td>
</tr></table>

<h2 id="K">K</h2>
Expand Down Expand Up @@ -672,8 +667,6 @@ <h2 id="M">M</h2>
<li><a href="reference/forcefield.html#module-rdmc.forcefield">rdmc.forcefield</a>
</li>
<li><a href="reference/mol.html#module-rdmc.mol">rdmc.mol</a>
</li>
<li><a href="reference/mol_compare.html#module-rdmc.mol_compare">rdmc.mol_compare</a>
</li>
<li><a href="reference/utils.html#module-rdmc.utils">rdmc.utils</a>
</li>
Expand Down Expand Up @@ -801,13 +794,6 @@ <h2 id="R">R</h2>

<ul>
<li><a href="reference/mol.html#module-rdmc.mol">module</a>
</li>
</ul></li>
<li>
rdmc.mol_compare

<ul>
<li><a href="reference/mol_compare.html#module-rdmc.mol_compare">module</a>
</li>
</ul></li>
<li>
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<footer class="prev-next-footer">
<!-- Previous / next buttons -->

<div class="prev-next-area">
</div>
</footer>
Expand All @@ -977,15 +963,16 @@ <h2 id="W">W</h2>
</div>

<!-- Scripts loaded after <body> so the DOM is not blocked -->
<script src="_static/scripts/bootstrap.js?digest=365ca57ee442770a23c6"></script>
<script src="_static/scripts/pydata-sphinx-theme.js?digest=365ca57ee442770a23c6"></script>
<script src="_static/scripts/bootstrap.js?digest=5b4479735964841361fd"></script>
<script src="_static/scripts/pydata-sphinx-theme.js?digest=5b4479735964841361fd"></script>

<footer class="bd-footer">
<div class="bd-footer__inner bd-page-width">

<div class="footer-items__start">

<div class="footer-item">

<p class="copyright">

© Copyright 2020-2023, Xiaorui Dong.
Expand All @@ -995,6 +982,7 @@ <h2 id="W">W</h2>
</div>

<div class="footer-item">

<p class="sphinx-version">
Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.4.
<br/>
Expand All @@ -1007,8 +995,9 @@ <h2 id="W">W</h2>

<div class="footer-items__end">

<div class="footer-item"><p class="theme-version">
Built with the <a href="https://pydata-sphinx-theme.readthedocs.io/en/stable/index.html">PyData Sphinx Theme</a> 0.14.3.
<div class="footer-item">
<p class="theme-version">
Built with the <a href="https://pydata-sphinx-theme.readthedocs.io/en/stable/index.html">PyData Sphinx Theme</a> 0.14.4.
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