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Automated Docs Update
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github-actions committed Feb 3, 2022
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<li><a href="tests.html#tests.test_MoleculeSet.TestMoleculeSet.test_invalid_transform_error">test_invalid_transform_error() (tests.test_MoleculeSet.TestMoleculeSet method)</a>
</li>
<li><a href="tests.html#tests.test_Molecule.TestMolecule.test_is_same">test_is_same() (tests.test_Molecule.TestMolecule method)</a>
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<li><a href="tests.html#tests.test_MoleculeSet.TestMoleculeSet.test_isomap_transform">test_isomap_transform() (tests.test_MoleculeSet.TestMoleculeSet method)</a>
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<li><a href="tests.html#tests.test_MeasureSearch.TestMeasureSearch.test_logfile_generation">test_logfile_generation() (tests.test_MeasureSearch.TestMeasureSearch method)</a>
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<li><a href="tests.html#tests.test_MoleculeSet.TestMoleculeSet.test_smiles">(tests.test_MoleculeSet.TestMoleculeSet attribute)</a>
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</ul></li>
<li><a href="tests.html#tests.test_MoleculeSet.TestMoleculeSet.test_spectral_embedding_transform">test_spectral_embedding_transform() (tests.test_MoleculeSet.TestMoleculeSet method)</a>
</li>
<li><a href="tests.html#tests.test_multithreading.TestMultithreading.test_speedup_efficiency_cosine">test_speedup_efficiency_cosine() (tests.test_multithreading.TestMultithreading method)</a>
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<li><a href="tests.html#tests.test_multithreading.TestMultithreading.test_speedup_efficiency_tanimoto">test_speedup_efficiency_tanimoto() (tests.test_multithreading.TestMultithreading method)</a>
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Expand Up @@ -627,6 +627,13 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
should throw an error.</p>
</dd></dl>

<dl class="py method">
<dt class="sig sig-object py" id="tests.test_MoleculeSet.TestMoleculeSet.test_isomap_transform">
<span class="sig-name descname"><span class="pre">test_isomap_transform</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#tests.test_MoleculeSet.TestMoleculeSet.test_isomap_transform" title="Permalink to this definition"></a></dt>
<dd><p>Test the unsupervised transformation of molecules in
MoleculSet using Isomap.</p>
</dd></dl>

<dl class="py method">
<dt class="sig sig-object py" id="tests.test_MoleculeSet.TestMoleculeSet.test_mds_transform">
<span class="sig-name descname"><span class="pre">test_mds_transform</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#tests.test_MoleculeSet.TestMoleculeSet.test_mds_transform" title="Permalink to this definition"></a></dt>
Expand Down Expand Up @@ -769,6 +776,13 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
<span class="sig-name descname"><span class="pre">test_smiles</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">['CCCCCCC',</span> <span class="pre">'CCCC',</span> <span class="pre">'CCC',</span> <span class="pre">'CO',</span> <span class="pre">'CN',</span> <span class="pre">'C1=CC=CC=C1',</span> <span class="pre">'CC1=CC=CC=C1',</span> <span class="pre">'C(=O)(N)N']</span></em><a class="headerlink" href="#tests.test_MoleculeSet.TestMoleculeSet.test_smiles" title="Permalink to this definition"></a></dt>
<dd></dd></dl>

<dl class="py method">
<dt class="sig sig-object py" id="tests.test_MoleculeSet.TestMoleculeSet.test_spectral_embedding_transform">
<span class="sig-name descname"><span class="pre">test_spectral_embedding_transform</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#tests.test_MoleculeSet.TestMoleculeSet.test_spectral_embedding_transform" title="Permalink to this definition"></a></dt>
<dd><p>Test the unsupervised transformation of molecules in
MoleculSet using Isomap.</p>
</dd></dl>

<dl class="py method">
<dt class="sig sig-object py" id="tests.test_MoleculeSet.TestMoleculeSet.test_subsample_molecule_database_from_csv">
<span class="sig-name descname"><span class="pre">test_subsample_molecule_database_from_csv</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#tests.test_MoleculeSet.TestMoleculeSet.test_subsample_molecule_database_from_csv" title="Permalink to this definition"></a></dt>
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<li><a href="tests.html#tests.test_MoleculeSet.TestMoleculeSet.test_invalid_transform_error">test_invalid_transform_error() (tests.test_MoleculeSet.TestMoleculeSet method)</a>
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<li><a href="tests.html#tests.test_Molecule.TestMolecule.test_is_same">test_is_same() (tests.test_Molecule.TestMolecule method)</a>
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<li><a href="tests.html#tests.test_MoleculeSet.TestMoleculeSet.test_isomap_transform">test_isomap_transform() (tests.test_MoleculeSet.TestMoleculeSet method)</a>
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<li><a href="tests.html#tests.test_MeasureSearch.TestMeasureSearch.test_logfile_generation">test_logfile_generation() (tests.test_MeasureSearch.TestMeasureSearch method)</a>
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<li><a href="tests.html#tests.test_MoleculeSet.TestMoleculeSet.test_smiles">(tests.test_MoleculeSet.TestMoleculeSet attribute)</a>
</li>
</ul></li>
<li><a href="tests.html#tests.test_MoleculeSet.TestMoleculeSet.test_spectral_embedding_transform">test_spectral_embedding_transform() (tests.test_MoleculeSet.TestMoleculeSet method)</a>
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<li><a href="tests.html#tests.test_multithreading.TestMultithreading.test_speedup_efficiency_cosine">test_speedup_efficiency_cosine() (tests.test_multithreading.TestMultithreading method)</a>
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<li><a href="tests.html#tests.test_multithreading.TestMultithreading.test_speedup_efficiency_tanimoto">test_speedup_efficiency_tanimoto() (tests.test_multithreading.TestMultithreading method)</a>
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should throw an error.</p>
</dd></dl>

<dl class="py method">
<dt class="sig sig-object py" id="tests.test_MoleculeSet.TestMoleculeSet.test_isomap_transform">
<span class="sig-name descname"><span class="pre">test_isomap_transform</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#tests.test_MoleculeSet.TestMoleculeSet.test_isomap_transform" title="Permalink to this definition"></a></dt>
<dd><p>Test the unsupervised transformation of molecules in
MoleculSet using Isomap.</p>
</dd></dl>

<dl class="py method">
<dt class="sig sig-object py" id="tests.test_MoleculeSet.TestMoleculeSet.test_mds_transform">
<span class="sig-name descname"><span class="pre">test_mds_transform</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#tests.test_MoleculeSet.TestMoleculeSet.test_mds_transform" title="Permalink to this definition"></a></dt>
Expand Down Expand Up @@ -769,6 +776,13 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
<span class="sig-name descname"><span class="pre">test_smiles</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">['CCCCCCC',</span> <span class="pre">'CCCC',</span> <span class="pre">'CCC',</span> <span class="pre">'CO',</span> <span class="pre">'CN',</span> <span class="pre">'C1=CC=CC=C1',</span> <span class="pre">'CC1=CC=CC=C1',</span> <span class="pre">'C(=O)(N)N']</span></em><a class="headerlink" href="#tests.test_MoleculeSet.TestMoleculeSet.test_smiles" title="Permalink to this definition"></a></dt>
<dd></dd></dl>

<dl class="py method">
<dt class="sig sig-object py" id="tests.test_MoleculeSet.TestMoleculeSet.test_spectral_embedding_transform">
<span class="sig-name descname"><span class="pre">test_spectral_embedding_transform</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#tests.test_MoleculeSet.TestMoleculeSet.test_spectral_embedding_transform" title="Permalink to this definition"></a></dt>
<dd><p>Test the unsupervised transformation of molecules in
MoleculSet using Isomap.</p>
</dd></dl>

<dl class="py method">
<dt class="sig sig-object py" id="tests.test_MoleculeSet.TestMoleculeSet.test_subsample_molecule_database_from_csv">
<span class="sig-name descname"><span class="pre">test_subsample_molecule_database_from_csv</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#tests.test_MoleculeSet.TestMoleculeSet.test_subsample_molecule_database_from_csv" title="Permalink to this definition"></a></dt>
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