Skip to content

Commit

Permalink
Deploying to gh-pages from @ b105939 🚀
Browse files Browse the repository at this point in the history
  • Loading branch information
@PauAndrio
PauAndrio committed Oct 17, 2024
1 parent 9191d39 commit 05141aa
Show file tree
Hide file tree
Showing 22 changed files with 90 additions and 90 deletions.
4 changes: 2 additions & 2 deletions coverage/class_index.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -55,7 +55,7 @@ <h2>
</h2>
<p class="text">
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
</div>
</header>
Expand Down Expand Up @@ -300,7 +300,7 @@ <h2>
<div class="content">
<p>
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
</div>
<aside class="hidden">
Expand Down
2 changes: 1 addition & 1 deletion coverage/coverage.xml
View file
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
<?xml version="1.0" ?>
<coverage version="7.6.3" timestamp="1729175298379" lines-valid="898" lines-covered="438" line-rate="0.4878" branches-covered="0" branches-valid="0" branch-rate="0" complexity="0">
<coverage version="7.6.3" timestamp="1729175466152" lines-valid="898" lines-covered="438" line-rate="0.4878" branches-covered="0" branches-valid="0" branch-rate="0" complexity="0">
<!-- Generated by coverage.py: https://coverage.readthedocs.io/en/7.6.3 -->
<!-- Based on https://raw.githubusercontent.com/cobertura/web/master/htdocs/xml/coverage-04.dtd -->
<sources>
Expand Down
4 changes: 2 additions & 2 deletions coverage/function_index.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -55,7 +55,7 @@ <h2>
</h2>
<p class="text">
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
</div>
</header>
Expand Down Expand Up @@ -740,7 +740,7 @@ <h2>
<div class="content">
<p>
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
</div>
<aside class="hidden">
Expand Down
4 changes: 2 additions & 2 deletions coverage/index.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -54,7 +54,7 @@ <h2>
</h2>
<p class="text">
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
</div>
</header>
Expand Down Expand Up @@ -194,7 +194,7 @@ <h2>
<div class="content">
<p>
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
</div>
<aside class="hidden">
Expand Down
4 changes: 2 additions & 2 deletions coverage/z_60079514e0a65b75_test_cmip_ignore_residues_py.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -65,7 +65,7 @@ <h2>
<a id="nextFileLink" class="nav" href="z_60079514e0a65b75_test_cmip_prepare_pdb_py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
<aside class="hidden">
<button type="button" class="button_next_chunk" data-shortcut="j"></button>
Expand Down Expand Up @@ -106,7 +106,7 @@ <h2>
<a class="nav" href="z_60079514e0a65b75_test_cmip_prepare_pdb_py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
</div>
</footer>
Expand Down
4 changes: 2 additions & 2 deletions coverage/z_60079514e0a65b75_test_cmip_prepare_pdb_py.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -65,7 +65,7 @@ <h2>
<a id="nextFileLink" class="nav" href="z_60079514e0a65b75_test_cmip_prepare_structure_py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
<aside class="hidden">
<button type="button" class="button_next_chunk" data-shortcut="j"></button>
Expand Down Expand Up @@ -106,7 +106,7 @@ <h2>
<a class="nav" href="z_60079514e0a65b75_test_cmip_prepare_structure_py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
</div>
</footer>
Expand Down
4 changes: 2 additions & 2 deletions coverage/z_60079514e0a65b75_test_cmip_prepare_structure_py.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -65,7 +65,7 @@ <h2>
<a id="nextFileLink" class="nav" href="z_60079514e0a65b75_test_cmip_run_py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
<aside class="hidden">
<button type="button" class="button_next_chunk" data-shortcut="j"></button>
Expand Down Expand Up @@ -119,7 +119,7 @@ <h2>
<a class="nav" href="z_60079514e0a65b75_test_cmip_run_py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
</div>
</footer>
Expand Down
4 changes: 2 additions & 2 deletions coverage/z_60079514e0a65b75_test_cmip_run_py.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -65,7 +65,7 @@ <h2>
<a id="nextFileLink" class="nav" href="z_75e10af03014de5b___init___py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
<aside class="hidden">
<button type="button" class="button_next_chunk" data-shortcut="j"></button>
Expand Down Expand Up @@ -157,7 +157,7 @@ <h2>
<a class="nav" href="z_75e10af03014de5b___init___py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
</div>
</footer>
Expand Down
4 changes: 2 additions & 2 deletions coverage/z_62e776c4c6447c89___init___py.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -65,7 +65,7 @@ <h2>
<a id="nextFileLink" class="nav" href="z_8c1d59f76554b5b6___init___py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
<aside class="hidden">
<button type="button" class="button_next_chunk" data-shortcut="j"></button>
Expand Down Expand Up @@ -93,7 +93,7 @@ <h2>
<a class="nav" href="z_8c1d59f76554b5b6___init___py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
</div>
</footer>
Expand Down
4 changes: 2 additions & 2 deletions coverage/z_75e10af03014de5b___init___py.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -65,7 +65,7 @@ <h2>
<a id="nextFileLink" class="nav" href="z_75e10af03014de5b_representation_py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
<aside class="hidden">
<button type="button" class="button_next_chunk" data-shortcut="j"></button>
Expand All @@ -89,7 +89,7 @@ <h2>
<a class="nav" href="z_75e10af03014de5b_representation_py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
</div>
</footer>
Expand Down
4 changes: 2 additions & 2 deletions coverage/z_75e10af03014de5b_representation_py.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -65,7 +65,7 @@ <h2>
<a id="nextFileLink" class="nav" href="index.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
<aside class="hidden">
<button type="button" class="button_next_chunk" data-shortcut="j"></button>
Expand Down Expand Up @@ -230,7 +230,7 @@ <h2>
<a class="nav" href="index.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
</div>
</footer>
Expand Down
4 changes: 2 additions & 2 deletions coverage/z_8c1d59f76554b5b6___init___py.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -65,7 +65,7 @@ <h2>
<a id="nextFileLink" class="nav" href="z_8c1d59f76554b5b6_cmip_ignore_residues_py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
<aside class="hidden">
<button type="button" class="button_next_chunk" data-shortcut="j"></button>
Expand Down Expand Up @@ -96,7 +96,7 @@ <h2>
<a class="nav" href="z_8c1d59f76554b5b6_cmip_ignore_residues_py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
</div>
</footer>
Expand Down
4 changes: 2 additions & 2 deletions coverage/z_8c1d59f76554b5b6_cmip_ignore_residues_py.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -65,7 +65,7 @@ <h2>
<a id="nextFileLink" class="nav" href="z_8c1d59f76554b5b6_cmip_prepare_pdb_py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
<aside class="hidden">
<button type="button" class="button_next_chunk" data-shortcut="j"></button>
Expand Down Expand Up @@ -227,7 +227,7 @@ <h2>
<a class="nav" href="z_8c1d59f76554b5b6_cmip_prepare_pdb_py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
</div>
</footer>
Expand Down
4 changes: 2 additions & 2 deletions coverage/z_8c1d59f76554b5b6_cmip_prepare_pdb_py.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -65,7 +65,7 @@ <h2>
<a id="nextFileLink" class="nav" href="z_8c1d59f76554b5b6_cmip_prepare_structure_py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
<aside class="hidden">
<button type="button" class="button_next_chunk" data-shortcut="j"></button>
Expand Down Expand Up @@ -240,7 +240,7 @@ <h2>
<a class="nav" href="z_8c1d59f76554b5b6_cmip_prepare_structure_py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
</div>
</footer>
Expand Down
8 changes: 4 additions & 4 deletions coverage/z_8c1d59f76554b5b6_cmip_prepare_structure_py.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -65,7 +65,7 @@ <h2>
<a id="nextFileLink" class="nav" href="z_8c1d59f76554b5b6_cmip_run_py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
<aside class="hidden">
<button type="button" class="button_next_chunk" data-shortcut="j"></button>
Expand Down Expand Up @@ -178,9 +178,9 @@ <h2>
<p class="pln"><span class="n"><a id="t96" href="#t96">96</a></span><span class="t">&nbsp;</span><span class="r"></span></p>
<p class="run"><span class="n"><a id="t97" href="#t97">97</a></span><span class="t"> <span class="key">with</span> <span class="nam">warnings</span><span class="op">.</span><span class="nam">catch_warnings</span><span class="op">(</span><span class="op">)</span><span class="op">:</span>&nbsp;</span><span class="r"></span></p>
<p class="run"><span class="n"><a id="t98" href="#t98">98</a></span><span class="t"> <span class="nam">warnings</span><span class="op">.</span><span class="nam">filterwarnings</span><span class="op">(</span><span class="str">"ignore"</span><span class="op">,</span> <span class="nam">category</span><span class="op">=</span><span class="nam">UserWarning</span><span class="op">)</span>&nbsp;</span><span class="r"></span></p>
<p class="run"><span class="n"><a id="t99" href="#t99">99</a></span><span class="t"> <span class="nam">fu</span><span class="op">.</span><span class="nam">log</span><span class="op">(</span><span class="str">f'Reading: {top_file} to extract charges'</span><span class="op">,</span> <span class="nam">self</span><span class="op">.</span><span class="nam">out_log</span><span class="op">,</span> <span class="nam">self</span><span class="op">.</span><span class="nam">global_log</span><span class="op">)</span>&nbsp;</span><span class="r"></span></p>
<p class="run"><span class="n"><a id="t99" href="#t99">99</a></span><span class="t"> <span class="nam">fu</span><span class="op">.</span><span class="nam">log</span><span class="op">(</span><span class="fst">f'</span><span class="fst">Reading: </span><span class="op">{</span><span class="nam">top_file</span><span class="op">}</span><span class="fst"> to extract charges</span><span class="fst">'</span><span class="op">,</span> <span class="nam">self</span><span class="op">.</span><span class="nam">out_log</span><span class="op">,</span> <span class="nam">self</span><span class="op">.</span><span class="nam">global_log</span><span class="op">)</span>&nbsp;</span><span class="r"></span></p>
<p class="run"><span class="n"><a id="t100" href="#t100">100</a></span><span class="t"> <span class="nam">charges_list</span> <span class="op">=</span> <span class="nam">get_topology_charges</span><span class="op">(</span><span class="nam">top_file</span><span class="op">)</span>&nbsp;</span><span class="r"></span></p>
<p class="run"><span class="n"><a id="t101" href="#t101">101</a></span><span class="t"> <span class="nam">fu</span><span class="op">.</span><span class="nam">log</span><span class="op">(</span><span class="str">f'Reading: {top_file} to extract elements'</span><span class="op">,</span> <span class="nam">self</span><span class="op">.</span><span class="nam">out_log</span><span class="op">,</span> <span class="nam">self</span><span class="op">.</span><span class="nam">global_log</span><span class="op">)</span>&nbsp;</span><span class="r"></span></p>
<p class="run"><span class="n"><a id="t101" href="#t101">101</a></span><span class="t"> <span class="nam">fu</span><span class="op">.</span><span class="nam">log</span><span class="op">(</span><span class="fst">f'</span><span class="fst">Reading: </span><span class="op">{</span><span class="nam">top_file</span><span class="op">}</span><span class="fst"> to extract elements</span><span class="fst">'</span><span class="op">,</span> <span class="nam">self</span><span class="op">.</span><span class="nam">out_log</span><span class="op">,</span> <span class="nam">self</span><span class="op">.</span><span class="nam">global_log</span><span class="op">)</span>&nbsp;</span><span class="r"></span></p>
<p class="run"><span class="n"><a id="t102" href="#t102">102</a></span><span class="t"> <span class="nam">elements_list</span> <span class="op">=</span> <span class="nam">get_topology_cmip_elements_canonical</span><span class="op">(</span><span class="nam">top_file</span><span class="op">)</span>&nbsp;</span><span class="r"></span></p>
<p class="run"><span class="n"><a id="t103" href="#t103">103</a></span><span class="t"> <span class="nam">two_letter_elements</span> <span class="op">=</span> <span class="op">{</span><span class="str">"CL"</span><span class="op">:</span> <span class="str">"Cl"</span><span class="op">,</span> <span class="str">"NA"</span><span class="op">:</span> <span class="str">"Na"</span><span class="op">,</span> <span class="str">"ZN"</span><span class="op">:</span> <span class="str">"Zn"</span><span class="op">,</span> <span class="str">"MG"</span><span class="op">:</span> <span class="str">"Mg"</span><span class="op">}</span>&nbsp;</span><span class="r"></span></p>
<p class="run"><span class="n"><a id="t104" href="#t104">104</a></span><span class="t"> <span class="nam">elements_list</span> <span class="op">=</span> <span class="op">[</span><span class="nam">two_letter_elements</span><span class="op">.</span><span class="nam">get</span><span class="op">(</span><span class="nam">element</span><span class="op">,</span> <span class="nam">element</span><span class="op">)</span> <span class="key">for</span> <span class="nam">element</span> <span class="key">in</span> <span class="nam">elements_list</span><span class="op">]</span>&nbsp;</span><span class="r"></span></p>
Expand Down Expand Up @@ -248,7 +248,7 @@ <h2>
<a class="nav" href="z_8c1d59f76554b5b6_cmip_run_py.html">&#xbb; next</a>
&nbsp; &nbsp; &nbsp;
<a class="nav" href="https://coverage.readthedocs.io/en/7.6.3">coverage.py v7.6.3</a>,
created at 2024-10-17 14:28 +0000
created at 2024-10-17 14:31 +0000
</p>
</div>
</footer>
Expand Down
Loading

0 comments on commit 05141aa

Please sign in to comment.