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Update pyKVFinderResults docstring and documentation (#62)
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jvsguerra authored Sep 23, 2023
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Expand Down Expand Up @@ -416,10 +416,10 @@ <h1>pyKVFinder.pyKVFinderResults<a class="headerlink" href="#pykvfinder-pykvfind
and so on.</p>
</div>
<p class="rubric">Example</p>
<div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">&gt;&gt;&gt; </span><span class="kn">from</span> <span class="nn">pyKVFinder</span> <span class="kn">import</span> <span class="n">pyKVFinder</span>
<span class="gp">&gt;&gt;&gt; </span><span class="kn">import</span> <span class="nn">os</span>
<div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">&gt;&gt;&gt; </span><span class="kn">import</span> <span class="nn">os</span>
<span class="gp">&gt;&gt;&gt; </span><span class="kn">import</span> <span class="nn">pyKVFinder</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">pdb</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">dirname</span><span class="p">(</span><span class="n">pyKVFinder</span><span class="o">.</span><span class="vm">__file__</span><span class="p">),</span> <span class="s1">&#39;data&#39;</span><span class="p">,</span> <span class="s1">&#39;tests&#39;</span><span class="p">,</span> <span class="s1">&#39;1FMO.pdb&#39;</span><span class="p">)</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">results</span> <span class="o">=</span> <span class="n">pyKVFinder</span><span class="p">(</span><span class="n">pdb</span><span class="p">)</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">results</span> <span class="o">=</span> <span class="n">pyKVFinder</span><span class="o">.</span><span class="n">run_workflow</span><span class="p">(</span><span class="n">pdb</span><span class="p">)</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">results</span><span class="o">.</span><span class="n">export</span><span class="p">()</span>
</pre></div>
</div>
Expand Down Expand Up @@ -467,10 +467,10 @@ <h1>pyKVFinder.pyKVFinderResults<a class="headerlink" href="#pykvfinder-pykvfind
</ul>
</div>
<p class="rubric">Example</p>
<div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">&gt;&gt;&gt; </span><span class="kn">from</span> <span class="nn">pyKVFinder</span> <span class="kn">import</span> <span class="n">pyKVFinder</span>
<span class="gp">&gt;&gt;&gt; </span><span class="kn">import</span> <span class="nn">os</span>
<div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">&gt;&gt;&gt; </span><span class="kn">import</span> <span class="nn">os</span>
<span class="gp">&gt;&gt;&gt; </span><span class="kn">import</span> <span class="nn">pyKVFinder</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">pdb</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">dirname</span><span class="p">(</span><span class="n">pyKVFinder</span><span class="o">.</span><span class="vm">__file__</span><span class="p">),</span> <span class="s1">&#39;data&#39;</span><span class="p">,</span> <span class="s1">&#39;tests&#39;</span><span class="p">,</span> <span class="s1">&#39;1FMO.pdb&#39;</span><span class="p">)</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">results</span> <span class="o">=</span> <span class="n">pyKVFinder</span><span class="p">(</span><span class="n">pdb</span><span class="p">)</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">results</span> <span class="o">=</span> <span class="n">pyKVFinder</span><span class="o">.</span><span class="n">run_workflow</span><span class="p">(</span><span class="n">pdb</span><span class="p">)</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">results</span><span class="o">.</span><span class="n">export_all</span><span class="p">()</span>
</pre></div>
</div>
Expand Down Expand Up @@ -510,10 +510,10 @@ <h1>pyKVFinder.pyKVFinderResults<a class="headerlink" href="#pykvfinder-pykvfind
</ul>
</div>
<p class="rubric">Example</p>
<div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">&gt;&gt;&gt; </span><span class="kn">from</span> <span class="nn">pyKVFinder</span> <span class="kn">import</span> <span class="n">pyKVFinder</span>
<span class="gp">&gt;&gt;&gt; </span><span class="kn">import</span> <span class="nn">os</span>
<div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">&gt;&gt;&gt; </span><span class="kn">import</span> <span class="nn">os</span>
<span class="gp">&gt;&gt;&gt; </span><span class="kn">import</span> <span class="nn">pyKVFinder</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">pdb</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">dirname</span><span class="p">(</span><span class="n">pyKVFinder</span><span class="o">.</span><span class="vm">__file__</span><span class="p">),</span> <span class="s1">&#39;data&#39;</span><span class="p">,</span> <span class="s1">&#39;tests&#39;</span><span class="p">,</span> <span class="s1">&#39;1FMO.pdb&#39;</span><span class="p">)</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">results</span> <span class="o">=</span> <span class="n">pyKVFinder</span><span class="p">(</span><span class="n">pdb</span><span class="p">)</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">results</span> <span class="o">=</span> <span class="n">pyKVFinder</span><span class="o">.</span><span class="n">run_workflow</span><span class="p">(</span><span class="n">pdb</span><span class="p">)</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">results</span><span class="o">.</span><span class="n">plot_frequencies</span><span class="p">()</span>
</pre></div>
</div>
Expand Down Expand Up @@ -541,10 +541,10 @@ <h1>pyKVFinder.pyKVFinderResults<a class="headerlink" href="#pykvfinder-pykvfind
and so on.</p>
</div>
<p class="rubric">Example</p>
<div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">&gt;&gt;&gt; </span><span class="kn">from</span> <span class="nn">pyKVFinder</span> <span class="kn">import</span> <span class="n">pyKVFinder</span>
<span class="gp">&gt;&gt;&gt; </span><span class="kn">import</span> <span class="nn">os</span>
<div class="doctest highlight-default notranslate"><div class="highlight"><pre><span></span><span class="gp">&gt;&gt;&gt; </span><span class="kn">import</span> <span class="nn">os</span>
<span class="gp">&gt;&gt;&gt; </span><span class="kn">import</span> <span class="nn">pyKVFinder</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">pdb</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">dirname</span><span class="p">(</span><span class="n">pyKVFinder</span><span class="o">.</span><span class="vm">__file__</span><span class="p">),</span> <span class="s1">&#39;data&#39;</span><span class="p">,</span> <span class="s1">&#39;tests&#39;</span><span class="p">,</span> <span class="s1">&#39;1FMO.pdb&#39;</span><span class="p">)</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">results</span> <span class="o">=</span> <span class="n">pyKVFinder</span><span class="p">(</span><span class="n">pdb</span><span class="p">)</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">results</span> <span class="o">=</span> <span class="n">pyKVFinder</span><span class="o">.</span><span class="n">run_workflow</span><span class="p">(</span><span class="n">pdb</span><span class="p">)</span>
<span class="gp">&gt;&gt;&gt; </span><span class="n">results</span><span class="o">.</span><span class="n">write</span><span class="p">()</span>
</pre></div>
</div>
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Coverage

Coverage Report
FileStmtsMissCoverMissing
pyKVFinder
   grid.py72210785%917, 921, 2242–2262, 2399–2476, 2832–2901
   main.py3576781%93, 97, 105, 114, 142–148, 1051, 1058, 1068, 1079, 1098, 1103–1104, 1330, 1335, 1341, 1348, 1351–1354, 1358–1363, 1375, 1385, 1414–1415, 1420–1421, 1426–1427, 1487–1492, 1498, 1503–1508, 1568, 1570, 1583, 1694, 1696, 1702, 1704, 1710, 1715, 1719, 1772–1782, 1808
   utils.py312698%571, 603, 606–608, 630
TOTAL139118087% 

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