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Documentation updated
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3 changed files with 58 additions and 32 deletions
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@ -69,10 +69,7 @@
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<details>
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<summary>View Source</summary>
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<div class="codehilite"><pre><span></span><span class="ch">#!/usr/bin/env python</span>
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<span class="c1"># coding: utf-8</span>
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<span class="kn">import</span> <span class="nn">os</span>
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<div class="codehilite"><pre><span></span><span class="kn">import</span> <span class="nn">os</span>
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<span class="kn">import</span> <span class="nn">fnmatch</span>
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<span class="kn">import</span> <span class="nn">re</span>
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<span class="kn">import</span> <span class="nn">struct</span>
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@ -83,11 +80,12 @@
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<span class="k">def</span> <span class="nf">read_pbp</span><span class="p">(</span><span class="n">path</span><span class="p">,</span> <span class="n">prefix</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
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<span class="sd">"""Read pbp format from given folder structure. Returns a list of length nrw</span>
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<span class="sd"> Keyword arguments</span>
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<span class="sd"> -----------------</span>
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<span class="sd"> r_start -- list which contains the first config to be read for each replicum</span>
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<span class="sd"> r_stop -- list which contains the last config to be read for each replicum</span>
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<span class="sd"> Parameters</span>
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<span class="sd"> ----------</span>
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<span class="sd"> r_start : list</span>
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<span class="sd"> list which contains the first config to be read for each replicum</span>
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<span class="sd"> r_stop : list</span>
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<span class="sd"> list which contains the last config to be read for each replicum</span>
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<span class="sd"> """</span>
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<span class="n">extract_nfct</span> <span class="o">=</span> <span class="mi">1</span>
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@ -137,7 +135,6 @@
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<span class="n">tmp_array</span> <span class="o">=</span> <span class="p">[]</span>
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<span class="k">with</span> <span class="nb">open</span><span class="p">(</span><span class="n">path</span> <span class="o">+</span> <span class="s1">'/'</span> <span class="o">+</span> <span class="n">ls</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="s1">'rb'</span><span class="p">)</span> <span class="k">as</span> <span class="n">fp</span><span class="p">:</span>
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<span class="c1"># header</span>
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<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span> <span class="c1"># number of reweighting factors</span>
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<span class="k">if</span> <span class="n">rep</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
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<span class="n">nrw</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
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@ -145,7 +142,7 @@
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<span class="n">deltas</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
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<span class="k">else</span><span class="p">:</span>
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<span class="k">if</span> <span class="n">nrw</span> <span class="o">!=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]:</span>
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<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Error: different number of reweighting factors for replicum'</span><span class="p">,</span> <span class="n">rep</span><span class="p">)</span>
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<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Error: different number of factors for replicum'</span><span class="p">,</span> <span class="n">rep</span><span class="p">)</span>
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<span class="k">for</span> <span class="n">k</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
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<span class="n">tmp_array</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
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@ -218,11 +215,12 @@
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<div class="codehilite"><pre><span></span><span class="k">def</span> <span class="nf">read_pbp</span><span class="p">(</span><span class="n">path</span><span class="p">,</span> <span class="n">prefix</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
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<span class="sd">"""Read pbp format from given folder structure. Returns a list of length nrw</span>
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<span class="sd"> Keyword arguments</span>
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<span class="sd"> -----------------</span>
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<span class="sd"> r_start -- list which contains the first config to be read for each replicum</span>
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<span class="sd"> r_stop -- list which contains the last config to be read for each replicum</span>
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<span class="sd"> Parameters</span>
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<span class="sd"> ----------</span>
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<span class="sd"> r_start : list</span>
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<span class="sd"> list which contains the first config to be read for each replicum</span>
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<span class="sd"> r_stop : list</span>
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<span class="sd"> list which contains the last config to be read for each replicum</span>
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<span class="sd"> """</span>
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<span class="n">extract_nfct</span> <span class="o">=</span> <span class="mi">1</span>
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@ -272,7 +270,6 @@
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<span class="n">tmp_array</span> <span class="o">=</span> <span class="p">[]</span>
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<span class="k">with</span> <span class="nb">open</span><span class="p">(</span><span class="n">path</span> <span class="o">+</span> <span class="s1">'/'</span> <span class="o">+</span> <span class="n">ls</span><span class="p">[</span><span class="n">rep</span><span class="p">],</span> <span class="s1">'rb'</span><span class="p">)</span> <span class="k">as</span> <span class="n">fp</span><span class="p">:</span>
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<span class="c1"># header</span>
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<span class="n">t</span> <span class="o">=</span> <span class="n">fp</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span> <span class="c1"># number of reweighting factors</span>
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<span class="k">if</span> <span class="n">rep</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
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<span class="n">nrw</span> <span class="o">=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
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@ -280,7 +277,7 @@
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<span class="n">deltas</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
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<span class="k">else</span><span class="p">:</span>
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<span class="k">if</span> <span class="n">nrw</span> <span class="o">!=</span> <span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'i'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]:</span>
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<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Error: different number of reweighting factors for replicum'</span><span class="p">,</span> <span class="n">rep</span><span class="p">)</span>
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<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Error: different number of factors for replicum'</span><span class="p">,</span> <span class="n">rep</span><span class="p">)</span>
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<span class="k">for</span> <span class="n">k</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
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<span class="n">tmp_array</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
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@ -341,10 +338,14 @@
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<div class="docstring"><p>Read pbp format from given folder structure. Returns a list of length nrw</p>
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<h6 id="keyword-arguments">Keyword arguments</h6>
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<h6 id="parameters">Parameters</h6>
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<p>r_start -- list which contains the first config to be read for each replicum
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r_stop -- list which contains the last config to be read for each replicum</p>
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<ul>
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<li><strong>r_start</strong> (list):
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list which contains the first config to be read for each replicum</li>
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<li><strong>r_stop</strong> (list):
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list which contains the last config to be read for each replicum</li>
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</ul>
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</div>
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