build based on 86c9fa7

Author: Documenter.jl

dev/.documenter-siteinfo.json

@@ -1 +1 @@
-{"documenter":{"julia_version":"1.11.7","generation_timestamp":"2025-09-18T07:51:32","documenter_version":"1.14.1"}}
+{"documenter":{"julia_version":"1.11.7","generation_timestamp":"2025-09-18T19:32:13","documenter_version":"1.14.1"}}

dev/api/atoms/index.html

@@ -7,10 +7,10 @@
 # Access bond properties
 bond_type = get_bond_type(bond)
 begin_idx = get_begin_atom_idx(bond)
-end_idx = get_end_atom_idx(bond)</code></pre></div><a class="docs-sourcelink" target="_blank" href="https://github.com/MoleculeHub/MoleculeFlow.jl/blob/203a2cdaeafc37c95165fcaf6422391946fa6bb1/src/bond/bond.jl#L4-L25">source</a></section></article><h2 id="Get-Bond-Type"><a class="docs-heading-anchor" href="#Get-Bond-Type">Get Bond Type</a><a id="Get-Bond-Type-1"></a><a class="docs-heading-anchor-permalink" href="#Get-Bond-Type" title="Permalink"></a></h2><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="MoleculeFlow.get_bond_type" href="#MoleculeFlow.get_bond_type"><code>MoleculeFlow.get_bond_type</code></a> — <span class="docstring-category">Function</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><pre><code class="language-julia hljs">get_bond_type(bond::Bond) -&gt; String</code></pre><p>Get the bond type as a string.</p><p><strong>Arguments</strong></p><ul><li><code>bond</code>: A Bond object</li></ul><p><strong>Returns</strong></p><ul><li><code>String</code>: The bond type (&quot;SINGLE&quot;, &quot;DOUBLE&quot;, &quot;TRIPLE&quot;, &quot;AROMATIC&quot;, etc.)</li></ul><p><strong>Example</strong></p><pre><code class="language-julia hljs">mol = mol_from_smiles(&quot;C=C&quot;)
+end_idx = get_end_atom_idx(bond)</code></pre></div><a class="docs-sourcelink" target="_blank" href="https://github.com/MoleculeHub/MoleculeFlow.jl/blob/86c9fa71a7004a97da0a1a582f9db41584bfb2ee/src/bond/bond.jl#L4-L25">source</a></section></article><h2 id="Get-Bond-Type"><a class="docs-heading-anchor" href="#Get-Bond-Type">Get Bond Type</a><a id="Get-Bond-Type-1"></a><a class="docs-heading-anchor-permalink" href="#Get-Bond-Type" title="Permalink"></a></h2><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="MoleculeFlow.get_bond_type" href="#MoleculeFlow.get_bond_type"><code>MoleculeFlow.get_bond_type</code></a> — <span class="docstring-category">Function</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><pre><code class="language-julia hljs">get_bond_type(bond::Bond) -&gt; String</code></pre><p>Get the bond type as a string.</p><p><strong>Arguments</strong></p><ul><li><code>bond</code>: A Bond object</li></ul><p><strong>Returns</strong></p><ul><li><code>String</code>: The bond type (&quot;SINGLE&quot;, &quot;DOUBLE&quot;, &quot;TRIPLE&quot;, &quot;AROMATIC&quot;, etc.)</li></ul><p><strong>Example</strong></p><pre><code class="language-julia hljs">mol = mol_from_smiles(&quot;C=C&quot;)
 bonds = get_bonds(mol)
-bond_type = get_bond_type(bonds[1])  # Returns &quot;DOUBLE&quot;</code></pre></div><a class="docs-sourcelink" target="_blank" href="https://github.com/MoleculeHub/MoleculeFlow.jl/blob/203a2cdaeafc37c95165fcaf6422391946fa6bb1/src/bond/bond.jl#L52-L69">source</a></section></article><h2 id="Get-Begin-Atom-Index"><a class="docs-heading-anchor" href="#Get-Begin-Atom-Index">Get Begin Atom Index</a><a id="Get-Begin-Atom-Index-1"></a><a class="docs-heading-anchor-permalink" href="#Get-Begin-Atom-Index" title="Permalink"></a></h2><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="MoleculeFlow.get_begin_atom_idx" href="#MoleculeFlow.get_begin_atom_idx"><code>MoleculeFlow.get_begin_atom_idx</code></a> — <span class="docstring-category">Function</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><pre><code class="language-julia hljs">get_begin_atom_idx(bond::Bond) -&gt; Int</code></pre><p>Get the index of the first atom in the bond (1-based indexing).</p><p><strong>Arguments</strong></p><ul><li><code>bond</code>: A Bond object</li></ul><p><strong>Returns</strong></p><ul><li><code>Int</code>: The 1-based index of the beginning atom</li></ul><p><strong>Example</strong></p><pre><code class="language-julia hljs">mol = mol_from_smiles(&quot;CCO&quot;)
+bond_type = get_bond_type(bonds[1])  # Returns &quot;DOUBLE&quot;</code></pre></div><a class="docs-sourcelink" target="_blank" href="https://github.com/MoleculeHub/MoleculeFlow.jl/blob/86c9fa71a7004a97da0a1a582f9db41584bfb2ee/src/bond/bond.jl#L52-L69">source</a></section></article><h2 id="Get-Begin-Atom-Index"><a class="docs-heading-anchor" href="#Get-Begin-Atom-Index">Get Begin Atom Index</a><a id="Get-Begin-Atom-Index-1"></a><a class="docs-heading-anchor-permalink" href="#Get-Begin-Atom-Index" title="Permalink"></a></h2><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="MoleculeFlow.get_begin_atom_idx" href="#MoleculeFlow.get_begin_atom_idx"><code>MoleculeFlow.get_begin_atom_idx</code></a> — <span class="docstring-category">Function</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><pre><code class="language-julia hljs">get_begin_atom_idx(bond::Bond) -&gt; Int</code></pre><p>Get the index of the first atom in the bond (1-based indexing).</p><p><strong>Arguments</strong></p><ul><li><code>bond</code>: A Bond object</li></ul><p><strong>Returns</strong></p><ul><li><code>Int</code>: The 1-based index of the beginning atom</li></ul><p><strong>Example</strong></p><pre><code class="language-julia hljs">mol = mol_from_smiles(&quot;CCO&quot;)
 bonds = get_bonds(mol)
-begin_idx = get_begin_atom_idx(bonds[1])  # Returns 1</code></pre></div><a class="docs-sourcelink" target="_blank" href="https://github.com/MoleculeHub/MoleculeFlow.jl/blob/203a2cdaeafc37c95165fcaf6422391946fa6bb1/src/bond/bond.jl#L74-L91">source</a></section></article><h2 id="Get-End-Atom-Index"><a class="docs-heading-anchor" href="#Get-End-Atom-Index">Get End Atom Index</a><a id="Get-End-Atom-Index-1"></a><a class="docs-heading-anchor-permalink" href="#Get-End-Atom-Index" title="Permalink"></a></h2><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="MoleculeFlow.get_end_atom_idx" href="#MoleculeFlow.get_end_atom_idx"><code>MoleculeFlow.get_end_atom_idx</code></a> — <span class="docstring-category">Function</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><pre><code class="language-julia hljs">get_end_atom_idx(bond::Bond) -&gt; Int</code></pre><p>Get the index of the second atom in the bond (1-based indexing).</p><p><strong>Arguments</strong></p><ul><li><code>bond</code>: A Bond object</li></ul><p><strong>Returns</strong></p><ul><li><code>Int</code>: The 1-based index of the ending atom</li></ul><p><strong>Example</strong></p><pre><code class="language-julia hljs">mol = mol_from_smiles(&quot;CCO&quot;)
+begin_idx = get_begin_atom_idx(bonds[1])  # Returns 1</code></pre></div><a class="docs-sourcelink" target="_blank" href="https://github.com/MoleculeHub/MoleculeFlow.jl/blob/86c9fa71a7004a97da0a1a582f9db41584bfb2ee/src/bond/bond.jl#L74-L91">source</a></section></article><h2 id="Get-End-Atom-Index"><a class="docs-heading-anchor" href="#Get-End-Atom-Index">Get End Atom Index</a><a id="Get-End-Atom-Index-1"></a><a class="docs-heading-anchor-permalink" href="#Get-End-Atom-Index" title="Permalink"></a></h2><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="MoleculeFlow.get_end_atom_idx" href="#MoleculeFlow.get_end_atom_idx"><code>MoleculeFlow.get_end_atom_idx</code></a> — <span class="docstring-category">Function</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><pre><code class="language-julia hljs">get_end_atom_idx(bond::Bond) -&gt; Int</code></pre><p>Get the index of the second atom in the bond (1-based indexing).</p><p><strong>Arguments</strong></p><ul><li><code>bond</code>: A Bond object</li></ul><p><strong>Returns</strong></p><ul><li><code>Int</code>: The 1-based index of the ending atom</li></ul><p><strong>Example</strong></p><pre><code class="language-julia hljs">mol = mol_from_smiles(&quot;CCO&quot;)
 bonds = get_bonds(mol)
-end_idx = get_end_atom_idx(bonds[1])  # Returns 2</code></pre></div><a class="docs-sourcelink" target="_blank" href="https://github.com/MoleculeHub/MoleculeFlow.jl/blob/203a2cdaeafc37c95165fcaf6422391946fa6bb1/src/bond/bond.jl#L96-L113">source</a></section></article></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="../atoms/">« Atom Operations</a><a class="docs-footer-nextpage" href="../similarity/">Similarity »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="auto">Automatic (OS)</option><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="catppuccin-latte">catppuccin-latte</option><option value="catppuccin-frappe">catppuccin-frappe</option><option value="catppuccin-macchiato">catppuccin-macchiato</option><option value="catppuccin-mocha">catppuccin-mocha</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.14.1 on <span class="colophon-date" title="Thursday 18 September 2025 07:51">Thursday 18 September 2025</span>. Using Julia version 1.11.7.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
+end_idx = get_end_atom_idx(bonds[1])  # Returns 2</code></pre></div><a class="docs-sourcelink" target="_blank" href="https://github.com/MoleculeHub/MoleculeFlow.jl/blob/86c9fa71a7004a97da0a1a582f9db41584bfb2ee/src/bond/bond.jl#L96-L113">source</a></section></article></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="../atoms/">« Atom Operations</a><a class="docs-footer-nextpage" href="../similarity/">Similarity »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="auto">Automatic (OS)</option><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="catppuccin-latte">catppuccin-latte</option><option value="catppuccin-frappe">catppuccin-frappe</option><option value="catppuccin-macchiato">catppuccin-macchiato</option><option value="catppuccin-mocha">catppuccin-mocha</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.14.1 on <span class="colophon-date" title="Thursday 18 September 2025 19:32">Thursday 18 September 2025</span>. Using Julia version 1.11.7.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>