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<title>pyerrors.input.openQCD API documentation</title>
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<input id="togglestate" type="checkbox" aria-hidden="true" tabindex="-1">
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<div>
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<a class="pdoc-button module-list-button" href="../input.html">
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<svg xmlns="http://www.w3.org/2000/svg" width="16" height="16" fill="currentColor" class="bi bi-box-arrow-in-left" viewBox="0 0 16 16">
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<path fill-rule="evenodd" d="M10 3.5a.5.5 0 0 0-.5-.5h-8a.5.5 0 0 0-.5.5v9a.5.5 0 0 0 .5.5h8a.5.5 0 0 0 .5-.5v-2a.5.5 0 0 1 1 0v2A1.5 1.5 0 0 1 9.5 14h-8A1.5 1.5 0 0 1 0 12.5v-9A1.5 1.5 0 0 1 1.5 2h8A1.5 1.5 0 0 1 11 3.5v2a.5.5 0 0 1-1 0v-2z"/>
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</svg> pyerrors.input</a>
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<input type="search" placeholder="Search..." role="searchbox" aria-label="search"
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pattern=".+" required>
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<h2>API Documentation</h2>
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<ul class="memberlist">
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<li>
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<a class="function" href="#read_rwms">read_rwms</a>
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</li>
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<li>
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<a class="function" href="#extract_t0">extract_t0</a>
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</li>
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<li>
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<a class="function" href="#read_qtop">read_qtop</a>
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</li>
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<li>
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<a class="function" href="#read_qtop_sector">read_qtop_sector</a>
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</li>
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</ul>
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<main class="pdoc">
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<section>
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<h1 class="modulename">
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<a href="./../../pyerrors.html">pyerrors</a><wbr>.<a href="./../input.html">input</a><wbr>.openQCD </h1>
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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="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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<span class="kn">import</span> <span class="nn">numpy</span> <span class="k">as</span> <span class="nn">np</span> <span class="c1"># Thinly-wrapped numpy</span>
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<span class="kn">from</span> <span class="nn">..obs</span> <span class="kn">import</span> <span class="n">Obs</span>
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<span class="kn">from</span> <span class="nn">..fits</span> <span class="kn">import</span> <span class="n">fit_lin</span>
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<span class="k">def</span> <span class="nf">read_rwms</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="n">version</span><span class="o">=</span><span class="s1">'2.0'</span><span class="p">,</span> <span class="n">names</span><span class="o">=</span><span class="kc">None</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 rwms format from given folder structure. Returns a list of length nrw</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"> version : str</span>
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<span class="sd"> version of openQCD, default 2.0</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"> postfix : str</span>
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<span class="sd"> postfix of the file to read, e.g. '.ms1' for openQCD-files</span>
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<span class="sd"> """</span>
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<span class="n">known_oqcd_versions</span> <span class="o">=</span> <span class="p">[</span><span class="s1">'1.4'</span><span class="p">,</span> <span class="s1">'1.6'</span><span class="p">,</span> <span class="s1">'2.0'</span><span class="p">]</span>
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<span class="k">if</span> <span class="ow">not</span> <span class="p">(</span><span class="n">version</span> <span class="ow">in</span> <span class="n">known_oqcd_versions</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">'Unknown openQCD version defined!'</span><span class="p">)</span>
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<span class="nb">print</span><span class="p">(</span><span class="s2">"Working with openQCD version "</span> <span class="o">+</span> <span class="n">version</span><span class="p">)</span>
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<span class="k">if</span> <span class="s1">'postfix'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
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<span class="n">postfix</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'postfix'</span><span class="p">)</span>
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<span class="k">else</span><span class="p">:</span>
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<span class="n">postfix</span> <span class="o">=</span> <span class="s1">''</span>
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<span class="n">ls</span> <span class="o">=</span> <span class="p">[]</span>
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<span class="k">for</span> <span class="p">(</span><span class="n">dirpath</span><span class="p">,</span> <span class="n">dirnames</span><span class="p">,</span> <span class="n">filenames</span><span class="p">)</span> <span class="ow">in</span> <span class="n">os</span><span class="o">.</span><span class="n">walk</span><span class="p">(</span><span class="n">path</span><span class="p">):</span>
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<span class="n">ls</span><span class="o">.</span><span class="n">extend</span><span class="p">(</span><span class="n">filenames</span><span class="p">)</span>
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<span class="k">break</span>
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<span class="k">if</span> <span class="ow">not</span> <span class="n">ls</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, directory not found'</span><span class="p">)</span>
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<span class="k">if</span> <span class="s1">'files'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
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<span class="n">ls</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'files'</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">for</span> <span class="n">exc</span> <span class="ow">in</span> <span class="n">ls</span><span class="p">:</span>
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<span class="k">if</span> <span class="ow">not</span> <span class="n">fnmatch</span><span class="o">.</span><span class="n">fnmatch</span><span class="p">(</span><span class="n">exc</span><span class="p">,</span> <span class="n">prefix</span> <span class="o">+</span> <span class="s1">'*'</span> <span class="o">+</span> <span class="n">postfix</span> <span class="o">+</span> <span class="s1">'.dat'</span><span class="p">):</span>
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<span class="n">ls</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="nb">set</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span> <span class="o">-</span> <span class="nb">set</span><span class="p">([</span><span class="n">exc</span><span class="p">]))</span>
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<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span> <span class="o">></span> <span class="mi">1</span><span class="p">:</span>
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<span class="n">ls</span><span class="o">.</span><span class="n">sort</span><span class="p">(</span><span class="n">key</span><span class="o">=</span><span class="k">lambda</span> <span class="n">x</span><span class="p">:</span> <span class="nb">int</span><span class="p">(</span><span class="n">re</span><span class="o">.</span><span class="n">findall</span><span class="p">(</span><span class="sa">r</span><span class="s1">'\d+'</span><span class="p">,</span> <span class="n">x</span><span class="p">[</span><span class="nb">len</span><span class="p">(</span><span class="n">prefix</span><span class="p">):])[</span><span class="mi">0</span><span class="p">]))</span>
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<span class="n">replica</span> <span class="o">=</span> <span class="nb">len</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span>
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<span class="k">if</span> <span class="s1">'r_start'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
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<span class="n">r_start</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_start'</span><span class="p">)</span>
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<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_start</span><span class="p">)</span> <span class="o">!=</span> <span class="n">replica</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">'r_start does not match number of replicas'</span><span class="p">)</span>
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<span class="c1"># Adjust Configuration numbering to python index</span>
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<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="n">o</span> <span class="o">-</span> <span class="mi">1</span> <span class="k">if</span> <span class="n">o</span> <span class="k">else</span> <span class="kc">None</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">r_start</span><span class="p">]</span>
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<span class="k">else</span><span class="p">:</span>
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<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">replica</span>
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<span class="k">if</span> <span class="s1">'r_stop'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
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<span class="n">r_stop</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_stop'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_stop</span><span class="p">)</span> <span class="o">!=</span> <span class="n">replica</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_stop does not match number of replicas'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">replica</span>
|
|
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Read reweighting factors from'</span><span class="p">,</span> <span class="n">prefix</span><span class="p">[:</span><span class="o">-</span><span class="mi">1</span><span class="p">],</span> <span class="s1">','</span><span class="p">,</span>
|
|
<span class="n">replica</span><span class="p">,</span> <span class="s1">'replica'</span><span class="p">,</span> <span class="n">end</span><span class="o">=</span><span class="s1">''</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="n">names</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">rep_names</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">entry</span> <span class="ow">in</span> <span class="n">ls</span><span class="p">:</span>
|
|
<span class="n">truncated_entry</span> <span class="o">=</span> <span class="n">entry</span><span class="o">.</span><span class="n">split</span><span class="p">(</span><span class="s1">'.'</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="n">idx</span> <span class="o">=</span> <span class="n">truncated_entry</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s1">'r'</span><span class="p">)</span>
|
|
<span class="n">rep_names</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">truncated_entry</span><span class="p">[:</span><span class="n">idx</span><span class="p">]</span> <span class="o">+</span> <span class="s1">'|'</span> <span class="o">+</span> <span class="n">truncated_entry</span><span class="p">[</span><span class="n">idx</span><span class="p">:])</span>
|
|
|
|
<span class="n">print_err</span> <span class="o">=</span> <span class="mi">0</span>
|
|
<span class="k">if</span> <span class="s1">'print_err'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">print_err</span> <span class="o">=</span> <span class="mi">1</span>
|
|
<span class="nb">print</span><span class="p">()</span>
|
|
|
|
<span class="n">deltas</span> <span class="o">=</span> <span class="p">[]</span>
|
|
|
|
<span class="k">for</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">replica</span><span class="p">):</span>
|
|
<span class="n">tmp_array</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<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>
|
|
|
|
<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>
|
|
<span class="k">if</span> <span class="n">rep</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</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>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">:</span>
|
|
<span class="n">nrw</span> <span class="o">=</span> <span class="nb">int</span><span class="p">(</span><span class="n">nrw</span> <span class="o">/</span> <span class="mi">2</span><span class="p">)</span>
|
|
<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>
|
|
<span class="n">deltas</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="p">((</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> <span class="ow">and</span> <span class="p">(</span><span class="ow">not</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">))</span> <span class="ow">or</span> <span class="p">(</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> <span class="o">/</span> <span class="mi">2</span> <span class="ow">and</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">)):</span>
|
|
<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>
|
|
|
|
<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>
|
|
<span class="n">tmp_array</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
|
|
<span class="c1"># This block is necessary for openQCD1.6 and openQCD2.0 ms1 files</span>
|
|
<span class="n">nfct</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="ow">in</span> <span class="p">[</span><span class="s1">'1.6'</span><span class="p">,</span> <span class="s1">'2.0'</span><span class="p">]:</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<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="n">nfct</span><span class="o">.</span><span class="n">append</span><span class="p">(</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>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="n">nfct</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="mi">1</span><span class="p">)</span>
|
|
|
|
<span class="n">nsrc</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<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="n">nsrc</span><span class="o">.</span><span class="n">append</span><span class="p">(</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>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="ow">not</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">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="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'something is wrong!'</span><span class="p">)</span>
|
|
|
|
<span class="k">while</span> <span class="mi">0</span> <span class="o"><</span> <span class="mi">1</span><span class="p">:</span>
|
|
<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="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">t</span><span class="p">)</span> <span class="o"><</span> <span class="mi">4</span><span class="p">:</span>
|
|
<span class="k">break</span>
|
|
<span class="k">if</span> <span class="n">print_err</span><span class="p">:</span>
|
|
<span class="n">config_no</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="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="k">if</span><span class="p">(</span><span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">):</span>
|
|
<span class="n">tmpd</span> <span class="o">=</span> <span class="n">_read_array_openQCD2</span><span class="p">(</span><span class="n">fp</span><span class="p">)</span>
|
|
<span class="n">tmpd</span> <span class="o">=</span> <span class="n">_read_array_openQCD2</span><span class="p">(</span><span class="n">fp</span><span class="p">)</span>
|
|
<span class="n">tmp_rw</span> <span class="o">=</span> <span class="n">tmpd</span><span class="p">[</span><span class="s1">'arr'</span><span class="p">]</span>
|
|
<span class="n">tmp_nfct</span> <span class="o">=</span> <span class="mf">1.0</span>
|
|
<span class="k">for</span> <span class="n">j</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">tmpd</span><span class="p">[</span><span class="s1">'n'</span><span class="p">][</span><span class="mi">0</span><span class="p">]):</span>
|
|
<span class="n">tmp_nfct</span> <span class="o">*=</span> <span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">[</span><span class="n">j</span><span class="p">])))</span>
|
|
<span class="k">if</span> <span class="n">print_err</span><span class="p">:</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">config_no</span><span class="p">,</span> <span class="n">i</span><span class="p">,</span> <span class="n">j</span><span class="p">,</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">[</span><span class="n">j</span><span class="p">]))),</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">std</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">[</span><span class="n">j</span><span class="p">]))))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Sources:'</span><span class="p">,</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">[</span><span class="n">j</span><span class="p">])))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Partial factor:'</span><span class="p">,</span> <span class="n">tmp_nfct</span><span class="p">)</span>
|
|
<span class="k">elif</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'1.6'</span> <span class="ow">or</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'1.4'</span><span class="p">:</span>
|
|
<span class="n">tmp_nfct</span> <span class="o">=</span> <span class="mf">1.0</span>
|
|
<span class="k">for</span> <span class="n">j</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nfct</span><span class="p">[</span><span class="n">i</span><span class="p">]):</span>
|
|
<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">8</span> <span class="o">*</span> <span class="n">nsrc</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
|
|
<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">8</span> <span class="o">*</span> <span class="n">nsrc</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
|
|
<span class="n">tmp_rw</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">'d'</span> <span class="o">*</span> <span class="n">nsrc</span><span class="p">[</span><span class="n">i</span><span class="p">],</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="n">tmp_nfct</span> <span class="o">*=</span> <span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">)))</span>
|
|
<span class="k">if</span> <span class="n">print_err</span><span class="p">:</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">config_no</span><span class="p">,</span> <span class="n">i</span><span class="p">,</span> <span class="n">j</span><span class="p">,</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">))),</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">std</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">))))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Sources:'</span><span class="p">,</span> <span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">)))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Partial factor:'</span><span class="p">,</span> <span class="n">tmp_nfct</span><span class="p">)</span>
|
|
<span class="n">tmp_array</span><span class="p">[</span><span class="n">i</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">tmp_nfct</span><span class="p">)</span>
|
|
|
|
<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>
|
|
<span class="n">deltas</span><span class="p">[</span><span class="n">k</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">tmp_array</span><span class="p">[</span><span class="n">k</span><span class="p">][</span><span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]:</span><span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">]])</span>
|
|
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">','</span><span class="p">,</span> <span class="n">nrw</span><span class="p">,</span> <span class="s1">'reweighting factors with'</span><span class="p">,</span> <span class="n">nsrc</span><span class="p">,</span> <span class="s1">'sources'</span><span class="p">)</span>
|
|
<span class="n">result</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">t</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="k">if</span> <span class="n">names</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">result</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Obs</span><span class="p">(</span><span class="n">deltas</span><span class="p">[</span><span class="n">t</span><span class="p">],</span> <span class="n">rep_names</span><span class="p">))</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">names</span><span class="p">)</span>
|
|
<span class="n">result</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Obs</span><span class="p">(</span><span class="n">deltas</span><span class="p">[</span><span class="n">t</span><span class="p">],</span> <span class="n">names</span><span class="p">))</span>
|
|
<span class="k">return</span> <span class="n">result</span>
|
|
|
|
|
|
<span class="k">def</span> <span class="nf">extract_t0</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="n">dtr_read</span><span class="p">,</span> <span class="n">xmin</span><span class="p">,</span>
|
|
<span class="n">spatial_extent</span><span class="p">,</span> <span class="n">fit_range</span><span class="o">=</span><span class="mi">5</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
|
|
<span class="sd">"""Extract t0 from given .ms.dat files. Returns t0 as Obs.</span>
|
|
|
|
<span class="sd"> It is assumed that all boundary effects have</span>
|
|
<span class="sd"> sufficiently decayed at x0=xmin.</span>
|
|
<span class="sd"> The data around the zero crossing of t^2<E> - 0.3</span>
|
|
<span class="sd"> is fitted with a linear function</span>
|
|
<span class="sd"> from which the exact root is extracted.</span>
|
|
<span class="sd"> Only works with openQCD v 1.2.</span>
|
|
|
|
<span class="sd"> Parameters</span>
|
|
<span class="sd"> ----------</span>
|
|
<span class="sd"> path : str</span>
|
|
<span class="sd"> Path to .ms.dat files</span>
|
|
<span class="sd"> prefix : str</span>
|
|
<span class="sd"> Ensemble prefix</span>
|
|
<span class="sd"> dtr_read : int</span>
|
|
<span class="sd"> Determines how many trajectories should be skipped</span>
|
|
<span class="sd"> when reading the ms.dat files.</span>
|
|
<span class="sd"> Corresponds to dtr_cnfg / dtr_ms in the openQCD input file.</span>
|
|
<span class="sd"> xmin : int</span>
|
|
<span class="sd"> First timeslice where the boundary</span>
|
|
<span class="sd"> effects have sufficiently decayed.</span>
|
|
<span class="sd"> spatial_extent : int</span>
|
|
<span class="sd"> spatial extent of the lattice, required for normalization.</span>
|
|
<span class="sd"> fit_range : int</span>
|
|
<span class="sd"> Number of data points left and right of the zero</span>
|
|
<span class="sd"> crossing to be included in the linear fit. (Default: 5)</span>
|
|
<span class="sd"> r_start : list</span>
|
|
<span class="sd"> list which contains the first config to be read for each replicum.</span>
|
|
<span class="sd"> r_stop: list</span>
|
|
<span class="sd"> list which contains the last config to be read for each replicum.</span>
|
|
<span class="sd"> plaquette : bool</span>
|
|
<span class="sd"> If true extract the plaquette estimate of t0 instead.</span>
|
|
<span class="sd"> """</span>
|
|
|
|
<span class="n">ls</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="p">(</span><span class="n">dirpath</span><span class="p">,</span> <span class="n">dirnames</span><span class="p">,</span> <span class="n">filenames</span><span class="p">)</span> <span class="ow">in</span> <span class="n">os</span><span class="o">.</span><span class="n">walk</span><span class="p">(</span><span class="n">path</span><span class="p">):</span>
|
|
<span class="n">ls</span><span class="o">.</span><span class="n">extend</span><span class="p">(</span><span class="n">filenames</span><span class="p">)</span>
|
|
<span class="k">break</span>
|
|
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="n">ls</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Error, directory not found'</span><span class="p">)</span>
|
|
|
|
<span class="k">for</span> <span class="n">exc</span> <span class="ow">in</span> <span class="n">ls</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="n">fnmatch</span><span class="o">.</span><span class="n">fnmatch</span><span class="p">(</span><span class="n">exc</span><span class="p">,</span> <span class="n">prefix</span> <span class="o">+</span> <span class="s1">'*.ms.dat'</span><span class="p">):</span>
|
|
<span class="n">ls</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="nb">set</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span> <span class="o">-</span> <span class="nb">set</span><span class="p">([</span><span class="n">exc</span><span class="p">]))</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span> <span class="o">></span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">ls</span><span class="o">.</span><span class="n">sort</span><span class="p">(</span><span class="n">key</span><span class="o">=</span><span class="k">lambda</span> <span class="n">x</span><span class="p">:</span> <span class="nb">int</span><span class="p">(</span><span class="n">re</span><span class="o">.</span><span class="n">findall</span><span class="p">(</span><span class="sa">r</span><span class="s1">'\d+'</span><span class="p">,</span> <span class="n">x</span><span class="p">[</span><span class="nb">len</span><span class="p">(</span><span class="n">prefix</span><span class="p">):])[</span><span class="mi">0</span><span class="p">]))</span>
|
|
<span class="n">replica</span> <span class="o">=</span> <span class="nb">len</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_start'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_start'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_start</span><span class="p">)</span> <span class="o">!=</span> <span class="n">replica</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_start does not match number of replicas'</span><span class="p">)</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="n">o</span> <span class="o">-</span> <span class="mi">1</span> <span class="k">if</span> <span class="n">o</span> <span class="k">else</span> <span class="kc">None</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">r_start</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">replica</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_stop'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_stop'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_stop</span><span class="p">)</span> <span class="o">!=</span> <span class="n">replica</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_stop does not match number of replicas'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">replica</span>
|
|
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Extract t0 from'</span><span class="p">,</span> <span class="n">prefix</span><span class="p">,</span> <span class="s1">','</span><span class="p">,</span> <span class="n">replica</span><span class="p">,</span> <span class="s1">'replica'</span><span class="p">)</span>
|
|
|
|
<span class="n">Ysum</span> <span class="o">=</span> <span class="p">[]</span>
|
|
|
|
<span class="k">for</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">replica</span><span class="p">):</span>
|
|
|
|
<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>
|
|
<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">12</span><span class="p">)</span>
|
|
<span class="n">header</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">'iii'</span><span class="p">,</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="n">rep</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="n">dn</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="n">nn</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span>
|
|
<span class="n">tmax</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span>
|
|
<span class="k">elif</span> <span class="n">dn</span> <span class="o">!=</span> <span class="n">header</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="ow">or</span> <span class="n">nn</span> <span class="o">!=</span> <span class="n">header</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="ow">or</span> <span class="n">tmax</span> <span class="o">!=</span> <span class="n">header</span><span class="p">[</span><span class="mi">2</span><span class="p">]:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Replica parameters do not match.'</span><span class="p">)</span>
|
|
|
|
<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">8</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="n">rep</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="n">eps</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">'d'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Step size:'</span><span class="p">,</span> <span class="n">eps</span><span class="p">,</span> <span class="s1">', Maximal t value:'</span><span class="p">,</span> <span class="n">dn</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span><span class="p">)</span> <span class="o">*</span> <span class="n">eps</span><span class="p">)</span>
|
|
<span class="k">elif</span> <span class="n">eps</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">'d'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Values for eps do not match among replica.'</span><span class="p">)</span>
|
|
|
|
<span class="n">Ysl</span> <span class="o">=</span> <span class="p">[]</span>
|
|
|
|
<span class="k">while</span> <span class="mi">0</span> <span class="o"><</span> <span class="mi">1</span><span class="p">:</span>
|
|
<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="k">if</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">t</span><span class="p">)</span> <span class="o"><</span> <span class="mi">4</span><span class="p">):</span>
|
|
<span class="k">break</span>
|
|
<span class="n">nc</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>
|
|
|
|
<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">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="k">if</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'plaquette'</span><span class="p">):</span>
|
|
<span class="k">if</span> <span class="n">nc</span> <span class="o">%</span> <span class="n">dtr_read</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="n">Ysl</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">),</span> <span class="n">t</span><span class="p">))</span>
|
|
<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">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'plaquette'</span><span class="p">):</span>
|
|
<span class="k">if</span> <span class="n">nc</span> <span class="o">%</span> <span class="n">dtr_read</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="n">Ysl</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">),</span> <span class="n">t</span><span class="p">))</span>
|
|
<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">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
|
|
<span class="n">Ysum</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
<span class="k">for</span> <span class="n">i</span><span class="p">,</span> <span class="n">item</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">Ysl</span><span class="p">):</span>
|
|
<span class="n">Ysum</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">item</span><span class="p">[</span><span class="n">current</span> <span class="o">+</span> <span class="n">xmin</span><span class="p">:</span>
|
|
<span class="n">current</span> <span class="o">+</span> <span class="n">tmax</span> <span class="o">-</span> <span class="n">xmin</span><span class="p">])</span>
|
|
<span class="k">for</span> <span class="n">current</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span> <span class="nb">len</span><span class="p">(</span><span class="n">item</span><span class="p">),</span> <span class="n">tmax</span><span class="p">)])</span>
|
|
|
|
<span class="n">t2E_dict</span> <span class="o">=</span> <span class="p">{}</span>
|
|
<span class="k">for</span> <span class="n">n</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">):</span>
|
|
<span class="n">samples</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">nrep</span><span class="p">,</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">Ysum</span><span class="p">):</span>
|
|
<span class="n">samples</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
<span class="k">for</span> <span class="n">cnfg</span> <span class="ow">in</span> <span class="n">rep</span><span class="p">:</span>
|
|
<span class="n">samples</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">cnfg</span><span class="p">[</span><span class="n">n</span><span class="p">])</span>
|
|
<span class="n">samples</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="n">samples</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="n">r_start</span><span class="p">[</span><span class="n">nrep</span><span class="p">]:</span><span class="n">r_stop</span><span class="p">[</span><span class="n">nrep</span><span class="p">]]</span>
|
|
<span class="n">new_obs</span> <span class="o">=</span> <span class="n">Obs</span><span class="p">(</span><span class="n">samples</span><span class="p">,</span> <span class="p">[(</span><span class="n">w</span><span class="o">.</span><span class="n">split</span><span class="p">(</span><span class="s1">'.'</span><span class="p">))[</span><span class="mi">0</span><span class="p">]</span> <span class="k">for</span> <span class="n">w</span> <span class="ow">in</span> <span class="n">ls</span><span class="p">])</span>
|
|
<span class="n">t2E_dict</span><span class="p">[</span><span class="n">n</span> <span class="o">*</span> <span class="n">dn</span> <span class="o">*</span> <span class="n">eps</span><span class="p">]</span> <span class="o">=</span> <span class="p">(</span><span class="n">n</span> <span class="o">*</span> <span class="n">dn</span> <span class="o">*</span> <span class="n">eps</span><span class="p">)</span> <span class="o">**</span> <span class="mi">2</span> <span class="o">*</span> <span class="n">new_obs</span> <span class="o">/</span> <span class="p">(</span><span class="n">spatial_extent</span> <span class="o">**</span> <span class="mi">3</span><span class="p">)</span> <span class="o">-</span> <span class="mf">0.3</span>
|
|
|
|
<span class="n">zero_crossing</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">argmax</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span>
|
|
<span class="p">[</span><span class="n">o</span><span class="o">.</span><span class="n">value</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">t2E_dict</span><span class="o">.</span><span class="n">values</span><span class="p">()])</span> <span class="o">></span> <span class="mf">0.0</span><span class="p">)</span>
|
|
|
|
<span class="n">x</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="n">t2E_dict</span><span class="o">.</span><span class="n">keys</span><span class="p">())[</span><span class="n">zero_crossing</span> <span class="o">-</span> <span class="n">fit_range</span><span class="p">:</span>
|
|
<span class="n">zero_crossing</span> <span class="o">+</span> <span class="n">fit_range</span><span class="p">]</span>
|
|
<span class="n">y</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="n">t2E_dict</span><span class="o">.</span><span class="n">values</span><span class="p">())[</span><span class="n">zero_crossing</span> <span class="o">-</span> <span class="n">fit_range</span><span class="p">:</span>
|
|
<span class="n">zero_crossing</span> <span class="o">+</span> <span class="n">fit_range</span><span class="p">]</span>
|
|
<span class="p">[</span><span class="n">o</span><span class="o">.</span><span class="n">gamma_method</span><span class="p">()</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">y</span><span class="p">]</span>
|
|
|
|
<span class="n">fit_result</span> <span class="o">=</span> <span class="n">fit_lin</span><span class="p">(</span><span class="n">x</span><span class="p">,</span> <span class="n">y</span><span class="p">)</span>
|
|
<span class="k">return</span> <span class="o">-</span><span class="n">fit_result</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">/</span> <span class="n">fit_result</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span>
|
|
|
|
|
|
<span class="k">def</span> <span class="nf">_parse_array_openQCD2</span><span class="p">(</span><span class="n">d</span><span class="p">,</span> <span class="n">n</span><span class="p">,</span> <span class="n">size</span><span class="p">,</span> <span class="n">wa</span><span class="p">,</span> <span class="n">quadrupel</span><span class="o">=</span><span class="kc">False</span><span class="p">):</span>
|
|
<span class="n">arr</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">if</span> <span class="n">d</span> <span class="o">==</span> <span class="mi">2</span><span class="p">:</span>
|
|
<span class="n">tot</span> <span class="o">=</span> <span class="mi">0</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">n</span><span class="p">[</span><span class="n">d</span> <span class="o">-</span> <span class="mi">1</span><span class="p">]</span> <span class="o">-</span> <span class="mi">1</span><span class="p">):</span>
|
|
<span class="k">if</span> <span class="n">quadrupel</span><span class="p">:</span>
|
|
<span class="n">tmp</span> <span class="o">=</span> <span class="n">wa</span><span class="p">[</span><span class="n">tot</span><span class="p">:</span><span class="n">n</span><span class="p">[</span><span class="n">d</span> <span class="o">-</span> <span class="mi">1</span><span class="p">]]</span>
|
|
<span class="n">tmp2</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">tmp</span><span class="p">)):</span>
|
|
<span class="k">if</span> <span class="n">i</span> <span class="o">%</span> <span class="mi">2</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="n">tmp2</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">tmp</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
|
|
<span class="n">arr</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">tmp2</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">arr</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">wa</span><span class="p">[</span><span class="n">tot</span><span class="p">:</span><span class="n">n</span><span class="p">[</span><span class="n">d</span> <span class="o">-</span> <span class="mi">1</span><span class="p">]]))</span>
|
|
<span class="k">return</span> <span class="n">arr</span>
|
|
|
|
|
|
<span class="k">def</span> <span class="nf">_read_array_openQCD2</span><span class="p">(</span><span class="n">fp</span><span class="p">):</span>
|
|
<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="n">d</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>
|
|
<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="o">*</span> <span class="n">d</span><span class="p">)</span>
|
|
<span class="n">n</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">'</span><span class="si">%d</span><span class="s1">i'</span> <span class="o">%</span> <span class="p">(</span><span class="n">d</span><span class="p">),</span> <span class="n">t</span><span class="p">)</span>
|
|
<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="n">size</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>
|
|
<span class="k">if</span> <span class="n">size</span> <span class="o">==</span> <span class="mi">4</span><span class="p">:</span>
|
|
<span class="n">types</span> <span class="o">=</span> <span class="s1">'i'</span>
|
|
<span class="k">elif</span> <span class="n">size</span> <span class="o">==</span> <span class="mi">8</span><span class="p">:</span>
|
|
<span class="n">types</span> <span class="o">=</span> <span class="s1">'d'</span>
|
|
<span class="k">elif</span> <span class="n">size</span> <span class="o">==</span> <span class="mi">16</span><span class="p">:</span>
|
|
<span class="n">types</span> <span class="o">=</span> <span class="s1">'dd'</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Type not known!'</span><span class="p">)</span>
|
|
<span class="n">m</span> <span class="o">=</span> <span class="n">n</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span> <span class="n">d</span><span class="p">):</span>
|
|
<span class="n">m</span> <span class="o">*=</span> <span class="n">n</span><span class="p">[</span><span class="n">i</span><span class="p">]</span>
|
|
|
|
<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="n">m</span> <span class="o">*</span> <span class="n">size</span><span class="p">)</span>
|
|
<span class="n">tmp</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">'</span><span class="si">%d%s</span><span class="s1">'</span> <span class="o">%</span> <span class="p">(</span><span class="n">m</span><span class="p">,</span> <span class="n">types</span><span class="p">),</span> <span class="n">t</span><span class="p">)</span>
|
|
|
|
<span class="n">arr</span> <span class="o">=</span> <span class="n">_parse_array_openQCD2</span><span class="p">(</span><span class="n">d</span><span class="p">,</span> <span class="n">n</span><span class="p">,</span> <span class="n">size</span><span class="p">,</span> <span class="n">tmp</span><span class="p">,</span> <span class="n">quadrupel</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
|
|
<span class="k">return</span> <span class="p">{</span><span class="s1">'d'</span><span class="p">:</span> <span class="n">d</span><span class="p">,</span> <span class="s1">'n'</span><span class="p">:</span> <span class="n">n</span><span class="p">,</span> <span class="s1">'size'</span><span class="p">:</span> <span class="n">size</span><span class="p">,</span> <span class="s1">'arr'</span><span class="p">:</span> <span class="n">arr</span><span class="p">}</span>
|
|
|
|
|
|
<span class="k">def</span> <span class="nf">read_qtop</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="n">c</span><span class="p">,</span> <span class="n">dtr_cnfg</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span> <span class="n">version</span><span class="o">=</span><span class="s2">"1.2"</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
|
|
<span class="sd">"""Read qtop format from given folder structure.</span>
|
|
|
|
<span class="sd"> Parameters</span>
|
|
<span class="sd"> ----------</span>
|
|
<span class="sd"> path:</span>
|
|
<span class="sd"> path of the measurement files</span>
|
|
<span class="sd"> prefix:</span>
|
|
<span class="sd"> prefix of the measurement files, e.g. <prefix>_id0_r0.ms.dat</span>
|
|
<span class="sd"> c: double</span>
|
|
<span class="sd"> Smearing radius in units of the lattice extent, c = sqrt(8 t0) / L</span>
|
|
<span class="sd"> dtr_cnfg: int</span>
|
|
<span class="sd"> (optional) parameter that specifies the number of trajectories</span>
|
|
<span class="sd"> between two configs.</span>
|
|
<span class="sd"> if it is not set, the distance between two measurements</span>
|
|
<span class="sd"> in the file is assumed to be</span>
|
|
<span class="sd"> the distance between two configurations.</span>
|
|
<span class="sd"> steps: int</span>
|
|
<span class="sd"> (optional) (maybe only necessary for openQCD2.0)</span>
|
|
<span class="sd"> nt step size, guessed if not given</span>
|
|
<span class="sd"> version: str</span>
|
|
<span class="sd"> version string of the openQCD (sfqcd) version used to create</span>
|
|
<span class="sd"> the ensemble</span>
|
|
<span class="sd"> L: int</span>
|
|
<span class="sd"> spatial length of the lattice in L/a.</span>
|
|
<span class="sd"> HAS to be set if version != sfqcd, since openQCD does not provide</span>
|
|
<span class="sd"> this in the header</span>
|
|
<span class="sd"> r_start: list</span>
|
|
<span class="sd"> offset of the first ensemble, making it easier to match</span>
|
|
<span class="sd"> later on with other Obs</span>
|
|
<span class="sd"> r_stop: list</span>
|
|
<span class="sd"> last configurations that need to be read (per replicum)</span>
|
|
<span class="sd"> files: list</span>
|
|
<span class="sd"> specify the exact files that need to be read</span>
|
|
<span class="sd"> from path, practical if e.g. only one replicum is needed</span>
|
|
<span class="sd"> names: list</span>
|
|
<span class="sd"> Alternative labeling for replicas/ensembles.</span>
|
|
<span class="sd"> Has to have the appropriate length</span>
|
|
<span class="sd"> """</span>
|
|
<span class="n">known_versions</span> <span class="o">=</span> <span class="p">[</span><span class="s2">"1.0"</span><span class="p">,</span> <span class="s2">"1.2"</span><span class="p">,</span> <span class="s2">"1.4"</span><span class="p">,</span> <span class="s2">"1.6"</span><span class="p">,</span> <span class="s2">"2.0"</span><span class="p">,</span> <span class="s2">"sfqcd"</span><span class="p">]</span>
|
|
|
|
<span class="k">if</span> <span class="n">version</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">known_versions</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"Unknown openQCD version."</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s2">"steps"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">steps</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"steps"</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="o">==</span> <span class="s2">"sfqcd"</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s2">"L"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">supposed_L</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"L"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s2">"L"</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"This version of openQCD needs you to provide the spatial length of the lattice as parameter 'L'."</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">L</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"L"</span><span class="p">)</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="mi">1</span>
|
|
<span class="k">if</span> <span class="s2">"r_start"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"r_start"</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s2">"r_stop"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"r_stop"</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s2">"files"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">files</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"files"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">found</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">files</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="p">(</span><span class="n">dirpath</span><span class="p">,</span> <span class="n">dirnames</span><span class="p">,</span> <span class="n">filenames</span><span class="p">)</span> <span class="ow">in</span> <span class="n">os</span><span class="o">.</span><span class="n">walk</span><span class="p">(</span><span class="n">path</span> <span class="o">+</span> <span class="s2">"/"</span><span class="p">):</span>
|
|
<span class="c1"># print(filenames)</span>
|
|
<span class="n">found</span><span class="o">.</span><span class="n">extend</span><span class="p">(</span><span class="n">filenames</span><span class="p">)</span>
|
|
<span class="k">break</span>
|
|
<span class="k">for</span> <span class="n">f</span> <span class="ow">in</span> <span class="n">found</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="n">fnmatch</span><span class="o">.</span><span class="n">fnmatch</span><span class="p">(</span><span class="n">f</span><span class="p">,</span> <span class="n">prefix</span> <span class="o">+</span> <span class="s2">"*"</span> <span class="o">+</span> <span class="s2">".ms.dat"</span><span class="p">):</span>
|
|
<span class="n">files</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">f</span><span class="p">)</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">files</span><span class="p">)</span>
|
|
<span class="n">rep_names</span> <span class="o">=</span> <span class="p">[]</span>
|
|
|
|
<span class="n">deltas</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">idl</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">rep</span><span class="p">,</span> <span class="n">file</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">files</span><span class="p">):</span>
|
|
<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="s2">"/"</span> <span class="o">+</span> <span class="n">file</span><span class="p">,</span> <span class="s2">"rb"</span><span class="p">)</span> <span class="k">as</span> <span class="n">fp</span><span class="p">:</span>
|
|
<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">12</span><span class="p">)</span>
|
|
<span class="n">header</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">'<iii'</span><span class="p">,</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="c1"># step size in integration steps "dnms"</span>
|
|
<span class="n">dn</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="c1"># number of measurements, so "ntot"/dn</span>
|
|
<span class="n">nn</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span>
|
|
<span class="c1"># lattice T/a</span>
|
|
<span class="n">tmax</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="o">==</span> <span class="s2">"sfqcd"</span><span class="p">:</span>
|
|
<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">12</span><span class="p">)</span>
|
|
<span class="n">Ls</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">'<iii'</span><span class="p">,</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="k">if</span><span class="p">(</span><span class="n">Ls</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="n">Ls</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="ow">and</span> <span class="n">Ls</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">==</span> <span class="n">Ls</span><span class="p">[</span><span class="mi">2</span><span class="p">]):</span>
|
|
<span class="n">L</span> <span class="o">=</span> <span class="n">Ls</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="p">(</span><span class="n">supposed_L</span> <span class="o">==</span> <span class="n">L</span><span class="p">):</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"It seems the length given in the header and by you contradict each other"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"Found more than one spatial length in header!"</span><span class="p">)</span>
|
|
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'dnms:'</span><span class="p">,</span> <span class="n">dn</span><span class="p">)</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'nn:'</span><span class="p">,</span> <span class="n">nn</span><span class="p">)</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'tmax:'</span><span class="p">,</span> <span class="n">tmax</span><span class="p">)</span>
|
|
<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">8</span><span class="p">)</span>
|
|
<span class="n">eps</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">'d'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'eps:'</span><span class="p">,</span> <span class="n">eps</span><span class="p">)</span>
|
|
|
|
<span class="n">Q</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">ncs</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">while</span> <span class="mi">0</span> <span class="o"><</span> <span class="mi">1</span><span class="p">:</span>
|
|
<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="k">if</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">t</span><span class="p">)</span> <span class="o"><</span> <span class="mi">4</span><span class="p">):</span>
|
|
<span class="k">break</span>
|
|
<span class="n">ncs</span><span class="o">.</span><span class="n">append</span><span class="p">(</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>
|
|
<span class="c1"># Wsl</span>
|
|
<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">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="c1"># Ysl</span>
|
|
<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">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="c1"># Qsl, which is asked for in this method</span>
|
|
<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">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="c1"># unpack the array of Qtops,</span>
|
|
<span class="c1"># on each timeslice t=0,...,tmax-1 and the</span>
|
|
<span class="c1"># measurement number in = 0...nn (see README.qcd1)</span>
|
|
<span class="n">tmpd</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">'d'</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">),</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="n">Q</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">tmpd</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="nb">len</span><span class="p">(</span><span class="nb">set</span><span class="p">([</span><span class="n">ncs</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="o">-</span> <span class="n">ncs</span><span class="p">[</span><span class="n">i</span> <span class="o">-</span> <span class="mi">1</span><span class="p">]</span> <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span> <span class="nb">len</span><span class="p">(</span><span class="n">ncs</span><span class="p">))])):</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"Irregularities in stepsize found"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s1">'steps'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="n">steps</span> <span class="o">!=</span> <span class="n">ncs</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">-</span> <span class="n">ncs</span><span class="p">[</span><span class="mi">0</span><span class="p">]:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"steps and the found stepsize are not the same"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">steps</span> <span class="o">=</span> <span class="n">ncs</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">-</span> <span class="n">ncs</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
|
|
<span class="nb">print</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">Q</span><span class="p">))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'max_t:'</span><span class="p">,</span> <span class="n">dn</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span><span class="p">)</span> <span class="o">*</span> <span class="n">eps</span><span class="p">)</span>
|
|
|
|
<span class="n">t_aim</span> <span class="o">=</span> <span class="p">(</span><span class="n">c</span> <span class="o">*</span> <span class="n">L</span><span class="p">)</span> <span class="o">**</span> <span class="mi">2</span> <span class="o">/</span> <span class="mi">8</span>
|
|
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'t_aim:'</span><span class="p">,</span> <span class="n">t_aim</span><span class="p">)</span>
|
|
<span class="n">index_aim</span> <span class="o">=</span> <span class="nb">round</span><span class="p">(</span><span class="n">t_aim</span> <span class="o">/</span> <span class="n">eps</span> <span class="o">/</span> <span class="n">dn</span><span class="p">)</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'index_aim:'</span><span class="p">,</span> <span class="n">index_aim</span><span class="p">)</span>
|
|
|
|
<span class="n">Q_sum</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">i</span><span class="p">,</span> <span class="n">item</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">Q</span><span class="p">):</span>
|
|
<span class="n">Q_sum</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="nb">sum</span><span class="p">(</span><span class="n">item</span><span class="p">[</span><span class="n">current</span><span class="p">:</span><span class="n">current</span> <span class="o">+</span> <span class="n">tmax</span><span class="p">])</span>
|
|
<span class="k">for</span> <span class="n">current</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span> <span class="nb">len</span><span class="p">(</span><span class="n">item</span><span class="p">),</span> <span class="n">tmax</span><span class="p">)])</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">Q_sum</span><span class="p">))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">Q_sum</span><span class="p">[</span><span class="mi">0</span><span class="p">]))</span>
|
|
<span class="n">Q_round</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">Q</span><span class="p">)</span> <span class="o">//</span> <span class="n">dtr_cnfg</span><span class="p">):</span>
|
|
<span class="n">Q_round</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="nb">round</span><span class="p">(</span><span class="n">Q_sum</span><span class="p">[</span><span class="n">dtr_cnfg</span> <span class="o">*</span> <span class="n">i</span><span class="p">][</span><span class="n">index_aim</span><span class="p">]))</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">Q_round</span><span class="p">)</span> <span class="o">!=</span> <span class="nb">len</span><span class="p">(</span><span class="n">ncs</span><span class="p">)</span> <span class="o">//</span> <span class="n">dtr_cnfg</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"qtops and ncs dont have the same length"</span><span class="p">)</span>
|
|
|
|
<span class="n">truncated_file</span> <span class="o">=</span> <span class="n">file</span><span class="p">[:</span><span class="o">-</span><span class="mi">7</span><span class="p">]</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">truncated_file</span><span class="p">)</span>
|
|
<span class="n">idl_start</span> <span class="o">=</span> <span class="mi">1</span>
|
|
|
|
<span class="k">if</span> <span class="s2">"r_start"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">Q_round</span> <span class="o">=</span> <span class="n">Q_round</span><span class="p">[</span><span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]:]</span>
|
|
<span class="n">idl_start</span> <span class="o">=</span> <span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span>
|
|
<span class="k">if</span> <span class="s2">"r_stop"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">Q_round</span> <span class="o">=</span> <span class="n">Q_round</span><span class="p">[:</span><span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">]]</span>
|
|
<span class="n">idl_stop</span> <span class="o">=</span> <span class="n">idl_start</span> <span class="o">+</span> <span class="nb">len</span><span class="p">(</span><span class="n">Q_round</span><span class="p">)</span>
|
|
<span class="c1"># keyword "names" prevails over "ens_name"</span>
|
|
<span class="k">if</span> <span class="s2">"names"</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="k">try</span><span class="p">:</span>
|
|
<span class="n">idx</span> <span class="o">=</span> <span class="n">truncated_file</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s1">'r'</span><span class="p">)</span>
|
|
<span class="k">except</span> <span class="ne">Exception</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s2">"names"</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"Automatic recognition of replicum failed, please enter the key word 'names'."</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s2">"ens_name"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">ens_name</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"ens_name"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">ens_name</span> <span class="o">=</span> <span class="n">truncated_file</span><span class="p">[:</span><span class="n">idx</span><span class="p">]</span>
|
|
<span class="n">rep_names</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">ens_name</span> <span class="o">+</span> <span class="s1">'|'</span> <span class="o">+</span> <span class="n">truncated_file</span><span class="p">[</span><span class="n">idx</span><span class="p">:])</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">names</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"names"</span><span class="p">)</span>
|
|
<span class="n">rep_names</span> <span class="o">=</span> <span class="n">names</span>
|
|
<span class="n">deltas</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">Q_round</span><span class="p">))</span>
|
|
<span class="n">idl</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="nb">range</span><span class="p">(</span><span class="n">idl_start</span><span class="p">,</span> <span class="n">idl_stop</span><span class="p">))</span>
|
|
<span class="n">result</span> <span class="o">=</span> <span class="n">Obs</span><span class="p">(</span><span class="n">deltas</span><span class="p">,</span> <span class="n">rep_names</span><span class="p">,</span> <span class="n">idl</span><span class="o">=</span><span class="n">idl</span><span class="p">)</span>
|
|
<span class="k">return</span> <span class="n">result</span>
|
|
|
|
|
|
<span class="k">def</span> <span class="nf">read_qtop_sector</span><span class="p">(</span><span class="n">target</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
|
|
<span class="sd">"""target: int</span>
|
|
<span class="sd"> specifies the topological sector to be reweighted to (default 0)</span>
|
|
<span class="sd"> q_top: Obs</span>
|
|
<span class="sd"> alternatively takes args of read_qtop method as kwargs</span>
|
|
<span class="sd"> """</span>
|
|
<span class="k">if</span> <span class="s2">"q_top"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">qtop</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"q_top"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s2">"path"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">path</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"path"</span><span class="p">)</span>
|
|
<span class="k">del</span> <span class="n">kwargs</span><span class="p">[</span><span class="s2">"path"</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"If you are not providing q_top, please provide path"</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s2">"prefix"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">prefix</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"prefix"</span><span class="p">)</span>
|
|
<span class="k">del</span> <span class="n">kwargs</span><span class="p">[</span><span class="s2">"prefix"</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"If you are not providing q_top, please provide prefix"</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s2">"c"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">c</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"c"</span><span class="p">)</span>
|
|
<span class="k">del</span> <span class="n">kwargs</span><span class="p">[</span><span class="s2">"c"</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"If you are not providing q_top, please provide c"</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s2">"version"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">version</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"version"</span><span class="p">)</span>
|
|
<span class="k">del</span> <span class="n">kwargs</span><span class="p">[</span><span class="s2">"version"</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">version</span> <span class="o">=</span> <span class="s2">"1.2"</span>
|
|
<span class="k">if</span> <span class="s2">"dtr_cnfg"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">dtr_cnfg</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"dtr_cnfg"</span><span class="p">)</span>
|
|
<span class="k">del</span> <span class="n">kwargs</span><span class="p">[</span><span class="s2">"dtr_cnfg"</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">dtr_cnfg</span> <span class="o">=</span> <span class="mi">1</span>
|
|
<span class="n">qtop</span> <span class="o">=</span> <span class="n">read_qtop</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="n">c</span><span class="p">,</span> <span class="n">dtr_cnfg</span><span class="o">=</span><span class="n">dtr_cnfg</span><span class="p">,</span>
|
|
<span class="n">version</span><span class="o">=</span><span class="n">version</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">)</span>
|
|
<span class="n">names</span> <span class="o">=</span> <span class="n">qtop</span><span class="o">.</span><span class="n">names</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">names</span><span class="p">)</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">qtop</span><span class="o">.</span><span class="n">deltas</span><span class="o">.</span><span class="n">keys</span><span class="p">())</span>
|
|
<span class="n">proj_qtop</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">n</span> <span class="ow">in</span> <span class="n">qtop</span><span class="o">.</span><span class="n">deltas</span><span class="p">:</span>
|
|
<span class="n">proj_qtop</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">([</span><span class="mi">1</span> <span class="k">if</span> <span class="nb">int</span><span class="p">(</span><span class="n">qtop</span><span class="o">.</span><span class="n">value</span> <span class="o">+</span> <span class="n">q</span><span class="p">)</span> <span class="o">==</span> <span class="n">target</span> <span class="k">else</span> <span class="mi">0</span> <span class="k">for</span> <span class="n">q</span> <span class="ow">in</span> <span class="n">qtop</span><span class="o">.</span><span class="n">deltas</span><span class="p">[</span><span class="n">n</span><span class="p">]]))</span>
|
|
|
|
<span class="n">result</span> <span class="o">=</span> <span class="n">Obs</span><span class="p">(</span><span class="n">proj_qtop</span><span class="p">,</span> <span class="n">qtop</span><span class="o">.</span><span class="n">names</span><span class="p">)</span>
|
|
<span class="k">return</span> <span class="n">result</span>
|
|
</pre></div>
|
|
|
|
</details>
|
|
|
|
</section>
|
|
<section id="read_rwms">
|
|
<div class="attr function"><a class="headerlink" href="#read_rwms">#  </a>
|
|
|
|
|
|
<span class="def">def</span>
|
|
<span class="name">read_rwms</span><span class="signature">(path, prefix, version='2.0', names=None, **kwargs)</span>:
|
|
</div>
|
|
|
|
<details>
|
|
<summary>View Source</summary>
|
|
<div class="codehilite"><pre><span></span><span class="k">def</span> <span class="nf">read_rwms</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="n">version</span><span class="o">=</span><span class="s1">'2.0'</span><span class="p">,</span> <span class="n">names</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
|
|
<span class="sd">"""Read rwms format from given folder structure. Returns a list of length nrw</span>
|
|
|
|
<span class="sd"> Parameters</span>
|
|
<span class="sd"> ----------</span>
|
|
<span class="sd"> version : str</span>
|
|
<span class="sd"> version of openQCD, default 2.0</span>
|
|
<span class="sd"> r_start : list</span>
|
|
<span class="sd"> list which contains the first config to be read for each replicum</span>
|
|
<span class="sd"> r_stop : list</span>
|
|
<span class="sd"> list which contains the last config to be read for each replicum</span>
|
|
<span class="sd"> postfix : str</span>
|
|
<span class="sd"> postfix of the file to read, e.g. '.ms1' for openQCD-files</span>
|
|
<span class="sd"> """</span>
|
|
<span class="n">known_oqcd_versions</span> <span class="o">=</span> <span class="p">[</span><span class="s1">'1.4'</span><span class="p">,</span> <span class="s1">'1.6'</span><span class="p">,</span> <span class="s1">'2.0'</span><span class="p">]</span>
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="p">(</span><span class="n">version</span> <span class="ow">in</span> <span class="n">known_oqcd_versions</span><span class="p">):</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Unknown openQCD version defined!'</span><span class="p">)</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s2">"Working with openQCD version "</span> <span class="o">+</span> <span class="n">version</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s1">'postfix'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">postfix</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'postfix'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">postfix</span> <span class="o">=</span> <span class="s1">''</span>
|
|
<span class="n">ls</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="p">(</span><span class="n">dirpath</span><span class="p">,</span> <span class="n">dirnames</span><span class="p">,</span> <span class="n">filenames</span><span class="p">)</span> <span class="ow">in</span> <span class="n">os</span><span class="o">.</span><span class="n">walk</span><span class="p">(</span><span class="n">path</span><span class="p">):</span>
|
|
<span class="n">ls</span><span class="o">.</span><span class="n">extend</span><span class="p">(</span><span class="n">filenames</span><span class="p">)</span>
|
|
<span class="k">break</span>
|
|
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="n">ls</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Error, directory not found'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s1">'files'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">ls</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'files'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">for</span> <span class="n">exc</span> <span class="ow">in</span> <span class="n">ls</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="n">fnmatch</span><span class="o">.</span><span class="n">fnmatch</span><span class="p">(</span><span class="n">exc</span><span class="p">,</span> <span class="n">prefix</span> <span class="o">+</span> <span class="s1">'*'</span> <span class="o">+</span> <span class="n">postfix</span> <span class="o">+</span> <span class="s1">'.dat'</span><span class="p">):</span>
|
|
<span class="n">ls</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="nb">set</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span> <span class="o">-</span> <span class="nb">set</span><span class="p">([</span><span class="n">exc</span><span class="p">]))</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span> <span class="o">></span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">ls</span><span class="o">.</span><span class="n">sort</span><span class="p">(</span><span class="n">key</span><span class="o">=</span><span class="k">lambda</span> <span class="n">x</span><span class="p">:</span> <span class="nb">int</span><span class="p">(</span><span class="n">re</span><span class="o">.</span><span class="n">findall</span><span class="p">(</span><span class="sa">r</span><span class="s1">'\d+'</span><span class="p">,</span> <span class="n">x</span><span class="p">[</span><span class="nb">len</span><span class="p">(</span><span class="n">prefix</span><span class="p">):])[</span><span class="mi">0</span><span class="p">]))</span>
|
|
<span class="n">replica</span> <span class="o">=</span> <span class="nb">len</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_start'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_start'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_start</span><span class="p">)</span> <span class="o">!=</span> <span class="n">replica</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_start does not match number of replicas'</span><span class="p">)</span>
|
|
<span class="c1"># Adjust Configuration numbering to python index</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="n">o</span> <span class="o">-</span> <span class="mi">1</span> <span class="k">if</span> <span class="n">o</span> <span class="k">else</span> <span class="kc">None</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">r_start</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">replica</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_stop'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_stop'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_stop</span><span class="p">)</span> <span class="o">!=</span> <span class="n">replica</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_stop does not match number of replicas'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">replica</span>
|
|
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Read reweighting factors from'</span><span class="p">,</span> <span class="n">prefix</span><span class="p">[:</span><span class="o">-</span><span class="mi">1</span><span class="p">],</span> <span class="s1">','</span><span class="p">,</span>
|
|
<span class="n">replica</span><span class="p">,</span> <span class="s1">'replica'</span><span class="p">,</span> <span class="n">end</span><span class="o">=</span><span class="s1">''</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="n">names</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">rep_names</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">entry</span> <span class="ow">in</span> <span class="n">ls</span><span class="p">:</span>
|
|
<span class="n">truncated_entry</span> <span class="o">=</span> <span class="n">entry</span><span class="o">.</span><span class="n">split</span><span class="p">(</span><span class="s1">'.'</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="n">idx</span> <span class="o">=</span> <span class="n">truncated_entry</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s1">'r'</span><span class="p">)</span>
|
|
<span class="n">rep_names</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">truncated_entry</span><span class="p">[:</span><span class="n">idx</span><span class="p">]</span> <span class="o">+</span> <span class="s1">'|'</span> <span class="o">+</span> <span class="n">truncated_entry</span><span class="p">[</span><span class="n">idx</span><span class="p">:])</span>
|
|
|
|
<span class="n">print_err</span> <span class="o">=</span> <span class="mi">0</span>
|
|
<span class="k">if</span> <span class="s1">'print_err'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">print_err</span> <span class="o">=</span> <span class="mi">1</span>
|
|
<span class="nb">print</span><span class="p">()</span>
|
|
|
|
<span class="n">deltas</span> <span class="o">=</span> <span class="p">[]</span>
|
|
|
|
<span class="k">for</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">replica</span><span class="p">):</span>
|
|
<span class="n">tmp_array</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<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>
|
|
|
|
<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>
|
|
<span class="k">if</span> <span class="n">rep</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</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>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">:</span>
|
|
<span class="n">nrw</span> <span class="o">=</span> <span class="nb">int</span><span class="p">(</span><span class="n">nrw</span> <span class="o">/</span> <span class="mi">2</span><span class="p">)</span>
|
|
<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>
|
|
<span class="n">deltas</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="p">((</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> <span class="ow">and</span> <span class="p">(</span><span class="ow">not</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">))</span> <span class="ow">or</span> <span class="p">(</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> <span class="o">/</span> <span class="mi">2</span> <span class="ow">and</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">)):</span>
|
|
<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>
|
|
|
|
<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>
|
|
<span class="n">tmp_array</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
|
|
<span class="c1"># This block is necessary for openQCD1.6 and openQCD2.0 ms1 files</span>
|
|
<span class="n">nfct</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="ow">in</span> <span class="p">[</span><span class="s1">'1.6'</span><span class="p">,</span> <span class="s1">'2.0'</span><span class="p">]:</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<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="n">nfct</span><span class="o">.</span><span class="n">append</span><span class="p">(</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>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="n">nfct</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="mi">1</span><span class="p">)</span>
|
|
|
|
<span class="n">nsrc</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<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="n">nsrc</span><span class="o">.</span><span class="n">append</span><span class="p">(</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>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="ow">not</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">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="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'something is wrong!'</span><span class="p">)</span>
|
|
|
|
<span class="k">while</span> <span class="mi">0</span> <span class="o"><</span> <span class="mi">1</span><span class="p">:</span>
|
|
<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="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">t</span><span class="p">)</span> <span class="o"><</span> <span class="mi">4</span><span class="p">:</span>
|
|
<span class="k">break</span>
|
|
<span class="k">if</span> <span class="n">print_err</span><span class="p">:</span>
|
|
<span class="n">config_no</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="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="k">if</span><span class="p">(</span><span class="n">version</span> <span class="o">==</span> <span class="s1">'2.0'</span><span class="p">):</span>
|
|
<span class="n">tmpd</span> <span class="o">=</span> <span class="n">_read_array_openQCD2</span><span class="p">(</span><span class="n">fp</span><span class="p">)</span>
|
|
<span class="n">tmpd</span> <span class="o">=</span> <span class="n">_read_array_openQCD2</span><span class="p">(</span><span class="n">fp</span><span class="p">)</span>
|
|
<span class="n">tmp_rw</span> <span class="o">=</span> <span class="n">tmpd</span><span class="p">[</span><span class="s1">'arr'</span><span class="p">]</span>
|
|
<span class="n">tmp_nfct</span> <span class="o">=</span> <span class="mf">1.0</span>
|
|
<span class="k">for</span> <span class="n">j</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">tmpd</span><span class="p">[</span><span class="s1">'n'</span><span class="p">][</span><span class="mi">0</span><span class="p">]):</span>
|
|
<span class="n">tmp_nfct</span> <span class="o">*=</span> <span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">[</span><span class="n">j</span><span class="p">])))</span>
|
|
<span class="k">if</span> <span class="n">print_err</span><span class="p">:</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">config_no</span><span class="p">,</span> <span class="n">i</span><span class="p">,</span> <span class="n">j</span><span class="p">,</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">[</span><span class="n">j</span><span class="p">]))),</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">std</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">[</span><span class="n">j</span><span class="p">]))))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Sources:'</span><span class="p">,</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">[</span><span class="n">j</span><span class="p">])))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Partial factor:'</span><span class="p">,</span> <span class="n">tmp_nfct</span><span class="p">)</span>
|
|
<span class="k">elif</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'1.6'</span> <span class="ow">or</span> <span class="n">version</span> <span class="o">==</span> <span class="s1">'1.4'</span><span class="p">:</span>
|
|
<span class="n">tmp_nfct</span> <span class="o">=</span> <span class="mf">1.0</span>
|
|
<span class="k">for</span> <span class="n">j</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nfct</span><span class="p">[</span><span class="n">i</span><span class="p">]):</span>
|
|
<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">8</span> <span class="o">*</span> <span class="n">nsrc</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
|
|
<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">8</span> <span class="o">*</span> <span class="n">nsrc</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
|
|
<span class="n">tmp_rw</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">'d'</span> <span class="o">*</span> <span class="n">nsrc</span><span class="p">[</span><span class="n">i</span><span class="p">],</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="n">tmp_nfct</span> <span class="o">*=</span> <span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">)))</span>
|
|
<span class="k">if</span> <span class="n">print_err</span><span class="p">:</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">config_no</span><span class="p">,</span> <span class="n">i</span><span class="p">,</span> <span class="n">j</span><span class="p">,</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">))),</span>
|
|
<span class="n">np</span><span class="o">.</span><span class="n">std</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">))))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Sources:'</span><span class="p">,</span> <span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">tmp_rw</span><span class="p">)))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Partial factor:'</span><span class="p">,</span> <span class="n">tmp_nfct</span><span class="p">)</span>
|
|
<span class="n">tmp_array</span><span class="p">[</span><span class="n">i</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">tmp_nfct</span><span class="p">)</span>
|
|
|
|
<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>
|
|
<span class="n">deltas</span><span class="p">[</span><span class="n">k</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">tmp_array</span><span class="p">[</span><span class="n">k</span><span class="p">][</span><span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]:</span><span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">]])</span>
|
|
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">','</span><span class="p">,</span> <span class="n">nrw</span><span class="p">,</span> <span class="s1">'reweighting factors with'</span><span class="p">,</span> <span class="n">nsrc</span><span class="p">,</span> <span class="s1">'sources'</span><span class="p">)</span>
|
|
<span class="n">result</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">t</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nrw</span><span class="p">):</span>
|
|
<span class="k">if</span> <span class="n">names</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
|
|
<span class="n">result</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Obs</span><span class="p">(</span><span class="n">deltas</span><span class="p">[</span><span class="n">t</span><span class="p">],</span> <span class="n">rep_names</span><span class="p">))</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">names</span><span class="p">)</span>
|
|
<span class="n">result</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Obs</span><span class="p">(</span><span class="n">deltas</span><span class="p">[</span><span class="n">t</span><span class="p">],</span> <span class="n">names</span><span class="p">))</span>
|
|
<span class="k">return</span> <span class="n">result</span>
|
|
</pre></div>
|
|
|
|
</details>
|
|
|
|
<div class="docstring"><p>Read rwms format from given folder structure. Returns a list of length nrw</p>
|
|
|
|
<h6 id="parameters">Parameters</h6>
|
|
|
|
<ul>
|
|
<li><strong>version</strong> (str):
|
|
version of openQCD, default 2.0</li>
|
|
<li><strong>r_start</strong> (list):
|
|
list which contains the first config to be read for each replicum</li>
|
|
<li><strong>r_stop</strong> (list):
|
|
list which contains the last config to be read for each replicum</li>
|
|
<li><strong>postfix</strong> (str):
|
|
postfix of the file to read, e.g. '.ms1' for openQCD-files</li>
|
|
</ul>
|
|
</div>
|
|
|
|
|
|
</section>
|
|
<section id="extract_t0">
|
|
<div class="attr function"><a class="headerlink" href="#extract_t0">#  </a>
|
|
|
|
|
|
<span class="def">def</span>
|
|
<span class="name">extract_t0</span><span class="signature">(path, prefix, dtr_read, xmin, spatial_extent, fit_range=5, **kwargs)</span>:
|
|
</div>
|
|
|
|
<details>
|
|
<summary>View Source</summary>
|
|
<div class="codehilite"><pre><span></span><span class="k">def</span> <span class="nf">extract_t0</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="n">dtr_read</span><span class="p">,</span> <span class="n">xmin</span><span class="p">,</span>
|
|
<span class="n">spatial_extent</span><span class="p">,</span> <span class="n">fit_range</span><span class="o">=</span><span class="mi">5</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
|
|
<span class="sd">"""Extract t0 from given .ms.dat files. Returns t0 as Obs.</span>
|
|
|
|
<span class="sd"> It is assumed that all boundary effects have</span>
|
|
<span class="sd"> sufficiently decayed at x0=xmin.</span>
|
|
<span class="sd"> The data around the zero crossing of t^2<E> - 0.3</span>
|
|
<span class="sd"> is fitted with a linear function</span>
|
|
<span class="sd"> from which the exact root is extracted.</span>
|
|
<span class="sd"> Only works with openQCD v 1.2.</span>
|
|
|
|
<span class="sd"> Parameters</span>
|
|
<span class="sd"> ----------</span>
|
|
<span class="sd"> path : str</span>
|
|
<span class="sd"> Path to .ms.dat files</span>
|
|
<span class="sd"> prefix : str</span>
|
|
<span class="sd"> Ensemble prefix</span>
|
|
<span class="sd"> dtr_read : int</span>
|
|
<span class="sd"> Determines how many trajectories should be skipped</span>
|
|
<span class="sd"> when reading the ms.dat files.</span>
|
|
<span class="sd"> Corresponds to dtr_cnfg / dtr_ms in the openQCD input file.</span>
|
|
<span class="sd"> xmin : int</span>
|
|
<span class="sd"> First timeslice where the boundary</span>
|
|
<span class="sd"> effects have sufficiently decayed.</span>
|
|
<span class="sd"> spatial_extent : int</span>
|
|
<span class="sd"> spatial extent of the lattice, required for normalization.</span>
|
|
<span class="sd"> fit_range : int</span>
|
|
<span class="sd"> Number of data points left and right of the zero</span>
|
|
<span class="sd"> crossing to be included in the linear fit. (Default: 5)</span>
|
|
<span class="sd"> r_start : list</span>
|
|
<span class="sd"> list which contains the first config to be read for each replicum.</span>
|
|
<span class="sd"> r_stop: list</span>
|
|
<span class="sd"> list which contains the last config to be read for each replicum.</span>
|
|
<span class="sd"> plaquette : bool</span>
|
|
<span class="sd"> If true extract the plaquette estimate of t0 instead.</span>
|
|
<span class="sd"> """</span>
|
|
|
|
<span class="n">ls</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="p">(</span><span class="n">dirpath</span><span class="p">,</span> <span class="n">dirnames</span><span class="p">,</span> <span class="n">filenames</span><span class="p">)</span> <span class="ow">in</span> <span class="n">os</span><span class="o">.</span><span class="n">walk</span><span class="p">(</span><span class="n">path</span><span class="p">):</span>
|
|
<span class="n">ls</span><span class="o">.</span><span class="n">extend</span><span class="p">(</span><span class="n">filenames</span><span class="p">)</span>
|
|
<span class="k">break</span>
|
|
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="n">ls</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Error, directory not found'</span><span class="p">)</span>
|
|
|
|
<span class="k">for</span> <span class="n">exc</span> <span class="ow">in</span> <span class="n">ls</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="n">fnmatch</span><span class="o">.</span><span class="n">fnmatch</span><span class="p">(</span><span class="n">exc</span><span class="p">,</span> <span class="n">prefix</span> <span class="o">+</span> <span class="s1">'*.ms.dat'</span><span class="p">):</span>
|
|
<span class="n">ls</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="nb">set</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span> <span class="o">-</span> <span class="nb">set</span><span class="p">([</span><span class="n">exc</span><span class="p">]))</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span> <span class="o">></span> <span class="mi">1</span><span class="p">:</span>
|
|
<span class="n">ls</span><span class="o">.</span><span class="n">sort</span><span class="p">(</span><span class="n">key</span><span class="o">=</span><span class="k">lambda</span> <span class="n">x</span><span class="p">:</span> <span class="nb">int</span><span class="p">(</span><span class="n">re</span><span class="o">.</span><span class="n">findall</span><span class="p">(</span><span class="sa">r</span><span class="s1">'\d+'</span><span class="p">,</span> <span class="n">x</span><span class="p">[</span><span class="nb">len</span><span class="p">(</span><span class="n">prefix</span><span class="p">):])[</span><span class="mi">0</span><span class="p">]))</span>
|
|
<span class="n">replica</span> <span class="o">=</span> <span class="nb">len</span><span class="p">(</span><span class="n">ls</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_start'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_start'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_start</span><span class="p">)</span> <span class="o">!=</span> <span class="n">replica</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_start does not match number of replicas'</span><span class="p">)</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="n">o</span> <span class="o">-</span> <span class="mi">1</span> <span class="k">if</span> <span class="n">o</span> <span class="k">else</span> <span class="kc">None</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">r_start</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">replica</span>
|
|
|
|
<span class="k">if</span> <span class="s1">'r_stop'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'r_stop'</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">r_stop</span><span class="p">)</span> <span class="o">!=</span> <span class="n">replica</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'r_stop does not match number of replicas'</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="p">[</span><span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">replica</span>
|
|
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Extract t0 from'</span><span class="p">,</span> <span class="n">prefix</span><span class="p">,</span> <span class="s1">','</span><span class="p">,</span> <span class="n">replica</span><span class="p">,</span> <span class="s1">'replica'</span><span class="p">)</span>
|
|
|
|
<span class="n">Ysum</span> <span class="o">=</span> <span class="p">[]</span>
|
|
|
|
<span class="k">for</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">replica</span><span class="p">):</span>
|
|
|
|
<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>
|
|
<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">12</span><span class="p">)</span>
|
|
<span class="n">header</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">'iii'</span><span class="p">,</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="n">rep</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="n">dn</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="n">nn</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span>
|
|
<span class="n">tmax</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span>
|
|
<span class="k">elif</span> <span class="n">dn</span> <span class="o">!=</span> <span class="n">header</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="ow">or</span> <span class="n">nn</span> <span class="o">!=</span> <span class="n">header</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="ow">or</span> <span class="n">tmax</span> <span class="o">!=</span> <span class="n">header</span><span class="p">[</span><span class="mi">2</span><span class="p">]:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Replica parameters do not match.'</span><span class="p">)</span>
|
|
|
|
<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">8</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="n">rep</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="n">eps</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">'d'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'Step size:'</span><span class="p">,</span> <span class="n">eps</span><span class="p">,</span> <span class="s1">', Maximal t value:'</span><span class="p">,</span> <span class="n">dn</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span><span class="p">)</span> <span class="o">*</span> <span class="n">eps</span><span class="p">)</span>
|
|
<span class="k">elif</span> <span class="n">eps</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">'d'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s1">'Values for eps do not match among replica.'</span><span class="p">)</span>
|
|
|
|
<span class="n">Ysl</span> <span class="o">=</span> <span class="p">[]</span>
|
|
|
|
<span class="k">while</span> <span class="mi">0</span> <span class="o"><</span> <span class="mi">1</span><span class="p">:</span>
|
|
<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="k">if</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">t</span><span class="p">)</span> <span class="o"><</span> <span class="mi">4</span><span class="p">):</span>
|
|
<span class="k">break</span>
|
|
<span class="n">nc</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>
|
|
|
|
<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">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="k">if</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'plaquette'</span><span class="p">):</span>
|
|
<span class="k">if</span> <span class="n">nc</span> <span class="o">%</span> <span class="n">dtr_read</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="n">Ysl</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">),</span> <span class="n">t</span><span class="p">))</span>
|
|
<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">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s1">'plaquette'</span><span class="p">):</span>
|
|
<span class="k">if</span> <span class="n">nc</span> <span class="o">%</span> <span class="n">dtr_read</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
|
|
<span class="n">Ysl</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">struct</span><span class="o">.</span><span class="n">unpack</span><span class="p">(</span><span class="s1">'d'</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">),</span> <span class="n">t</span><span class="p">))</span>
|
|
<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">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
|
|
<span class="n">Ysum</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
<span class="k">for</span> <span class="n">i</span><span class="p">,</span> <span class="n">item</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">Ysl</span><span class="p">):</span>
|
|
<span class="n">Ysum</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">item</span><span class="p">[</span><span class="n">current</span> <span class="o">+</span> <span class="n">xmin</span><span class="p">:</span>
|
|
<span class="n">current</span> <span class="o">+</span> <span class="n">tmax</span> <span class="o">-</span> <span class="n">xmin</span><span class="p">])</span>
|
|
<span class="k">for</span> <span class="n">current</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span> <span class="nb">len</span><span class="p">(</span><span class="n">item</span><span class="p">),</span> <span class="n">tmax</span><span class="p">)])</span>
|
|
|
|
<span class="n">t2E_dict</span> <span class="o">=</span> <span class="p">{}</span>
|
|
<span class="k">for</span> <span class="n">n</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">):</span>
|
|
<span class="n">samples</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">nrep</span><span class="p">,</span> <span class="n">rep</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">Ysum</span><span class="p">):</span>
|
|
<span class="n">samples</span><span class="o">.</span><span class="n">append</span><span class="p">([])</span>
|
|
<span class="k">for</span> <span class="n">cnfg</span> <span class="ow">in</span> <span class="n">rep</span><span class="p">:</span>
|
|
<span class="n">samples</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">cnfg</span><span class="p">[</span><span class="n">n</span><span class="p">])</span>
|
|
<span class="n">samples</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="n">samples</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="n">r_start</span><span class="p">[</span><span class="n">nrep</span><span class="p">]:</span><span class="n">r_stop</span><span class="p">[</span><span class="n">nrep</span><span class="p">]]</span>
|
|
<span class="n">new_obs</span> <span class="o">=</span> <span class="n">Obs</span><span class="p">(</span><span class="n">samples</span><span class="p">,</span> <span class="p">[(</span><span class="n">w</span><span class="o">.</span><span class="n">split</span><span class="p">(</span><span class="s1">'.'</span><span class="p">))[</span><span class="mi">0</span><span class="p">]</span> <span class="k">for</span> <span class="n">w</span> <span class="ow">in</span> <span class="n">ls</span><span class="p">])</span>
|
|
<span class="n">t2E_dict</span><span class="p">[</span><span class="n">n</span> <span class="o">*</span> <span class="n">dn</span> <span class="o">*</span> <span class="n">eps</span><span class="p">]</span> <span class="o">=</span> <span class="p">(</span><span class="n">n</span> <span class="o">*</span> <span class="n">dn</span> <span class="o">*</span> <span class="n">eps</span><span class="p">)</span> <span class="o">**</span> <span class="mi">2</span> <span class="o">*</span> <span class="n">new_obs</span> <span class="o">/</span> <span class="p">(</span><span class="n">spatial_extent</span> <span class="o">**</span> <span class="mi">3</span><span class="p">)</span> <span class="o">-</span> <span class="mf">0.3</span>
|
|
|
|
<span class="n">zero_crossing</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">argmax</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span>
|
|
<span class="p">[</span><span class="n">o</span><span class="o">.</span><span class="n">value</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">t2E_dict</span><span class="o">.</span><span class="n">values</span><span class="p">()])</span> <span class="o">></span> <span class="mf">0.0</span><span class="p">)</span>
|
|
|
|
<span class="n">x</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="n">t2E_dict</span><span class="o">.</span><span class="n">keys</span><span class="p">())[</span><span class="n">zero_crossing</span> <span class="o">-</span> <span class="n">fit_range</span><span class="p">:</span>
|
|
<span class="n">zero_crossing</span> <span class="o">+</span> <span class="n">fit_range</span><span class="p">]</span>
|
|
<span class="n">y</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="n">t2E_dict</span><span class="o">.</span><span class="n">values</span><span class="p">())[</span><span class="n">zero_crossing</span> <span class="o">-</span> <span class="n">fit_range</span><span class="p">:</span>
|
|
<span class="n">zero_crossing</span> <span class="o">+</span> <span class="n">fit_range</span><span class="p">]</span>
|
|
<span class="p">[</span><span class="n">o</span><span class="o">.</span><span class="n">gamma_method</span><span class="p">()</span> <span class="k">for</span> <span class="n">o</span> <span class="ow">in</span> <span class="n">y</span><span class="p">]</span>
|
|
|
|
<span class="n">fit_result</span> <span class="o">=</span> <span class="n">fit_lin</span><span class="p">(</span><span class="n">x</span><span class="p">,</span> <span class="n">y</span><span class="p">)</span>
|
|
<span class="k">return</span> <span class="o">-</span><span class="n">fit_result</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">/</span> <span class="n">fit_result</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span>
|
|
</pre></div>
|
|
|
|
</details>
|
|
|
|
<div class="docstring"><p>Extract t0 from given .ms.dat files. Returns t0 as Obs.</p>
|
|
|
|
<p>It is assumed that all boundary effects have
|
|
sufficiently decayed at x0=xmin.
|
|
The data around the zero crossing of t^2<E> - 0.3
|
|
is fitted with a linear function
|
|
from which the exact root is extracted.
|
|
Only works with openQCD v 1.2.</p>
|
|
|
|
<h6 id="parameters">Parameters</h6>
|
|
|
|
<ul>
|
|
<li><strong>path</strong> (str):
|
|
Path to .ms.dat files</li>
|
|
<li><strong>prefix</strong> (str):
|
|
Ensemble prefix</li>
|
|
<li><strong>dtr_read</strong> (int):
|
|
Determines how many trajectories should be skipped
|
|
when reading the ms.dat files.
|
|
Corresponds to dtr_cnfg / dtr_ms in the openQCD input file.</li>
|
|
<li><strong>xmin</strong> (int):
|
|
First timeslice where the boundary
|
|
effects have sufficiently decayed.</li>
|
|
<li><strong>spatial_extent</strong> (int):
|
|
spatial extent of the lattice, required for normalization.</li>
|
|
<li><strong>fit_range</strong> (int):
|
|
Number of data points left and right of the zero
|
|
crossing to be included in the linear fit. (Default: 5)</li>
|
|
<li><strong>r_start</strong> (list):
|
|
list which contains the first config to be read for each replicum.</li>
|
|
<li><strong>r_stop</strong> (list):
|
|
list which contains the last config to be read for each replicum.</li>
|
|
<li><strong>plaquette</strong> (bool):
|
|
If true extract the plaquette estimate of t0 instead.</li>
|
|
</ul>
|
|
</div>
|
|
|
|
|
|
</section>
|
|
<section id="read_qtop">
|
|
<div class="attr function"><a class="headerlink" href="#read_qtop">#  </a>
|
|
|
|
|
|
<span class="def">def</span>
|
|
<span class="name">read_qtop</span><span class="signature">(path, prefix, c, dtr_cnfg=1, version='1.2', **kwargs)</span>:
|
|
</div>
|
|
|
|
<details>
|
|
<summary>View Source</summary>
|
|
<div class="codehilite"><pre><span></span><span class="k">def</span> <span class="nf">read_qtop</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="n">c</span><span class="p">,</span> <span class="n">dtr_cnfg</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span> <span class="n">version</span><span class="o">=</span><span class="s2">"1.2"</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
|
|
<span class="sd">"""Read qtop format from given folder structure.</span>
|
|
|
|
<span class="sd"> Parameters</span>
|
|
<span class="sd"> ----------</span>
|
|
<span class="sd"> path:</span>
|
|
<span class="sd"> path of the measurement files</span>
|
|
<span class="sd"> prefix:</span>
|
|
<span class="sd"> prefix of the measurement files, e.g. <prefix>_id0_r0.ms.dat</span>
|
|
<span class="sd"> c: double</span>
|
|
<span class="sd"> Smearing radius in units of the lattice extent, c = sqrt(8 t0) / L</span>
|
|
<span class="sd"> dtr_cnfg: int</span>
|
|
<span class="sd"> (optional) parameter that specifies the number of trajectories</span>
|
|
<span class="sd"> between two configs.</span>
|
|
<span class="sd"> if it is not set, the distance between two measurements</span>
|
|
<span class="sd"> in the file is assumed to be</span>
|
|
<span class="sd"> the distance between two configurations.</span>
|
|
<span class="sd"> steps: int</span>
|
|
<span class="sd"> (optional) (maybe only necessary for openQCD2.0)</span>
|
|
<span class="sd"> nt step size, guessed if not given</span>
|
|
<span class="sd"> version: str</span>
|
|
<span class="sd"> version string of the openQCD (sfqcd) version used to create</span>
|
|
<span class="sd"> the ensemble</span>
|
|
<span class="sd"> L: int</span>
|
|
<span class="sd"> spatial length of the lattice in L/a.</span>
|
|
<span class="sd"> HAS to be set if version != sfqcd, since openQCD does not provide</span>
|
|
<span class="sd"> this in the header</span>
|
|
<span class="sd"> r_start: list</span>
|
|
<span class="sd"> offset of the first ensemble, making it easier to match</span>
|
|
<span class="sd"> later on with other Obs</span>
|
|
<span class="sd"> r_stop: list</span>
|
|
<span class="sd"> last configurations that need to be read (per replicum)</span>
|
|
<span class="sd"> files: list</span>
|
|
<span class="sd"> specify the exact files that need to be read</span>
|
|
<span class="sd"> from path, practical if e.g. only one replicum is needed</span>
|
|
<span class="sd"> names: list</span>
|
|
<span class="sd"> Alternative labeling for replicas/ensembles.</span>
|
|
<span class="sd"> Has to have the appropriate length</span>
|
|
<span class="sd"> """</span>
|
|
<span class="n">known_versions</span> <span class="o">=</span> <span class="p">[</span><span class="s2">"1.0"</span><span class="p">,</span> <span class="s2">"1.2"</span><span class="p">,</span> <span class="s2">"1.4"</span><span class="p">,</span> <span class="s2">"1.6"</span><span class="p">,</span> <span class="s2">"2.0"</span><span class="p">,</span> <span class="s2">"sfqcd"</span><span class="p">]</span>
|
|
|
|
<span class="k">if</span> <span class="n">version</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">known_versions</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"Unknown openQCD version."</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s2">"steps"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">steps</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"steps"</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="o">==</span> <span class="s2">"sfqcd"</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s2">"L"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">supposed_L</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"L"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s2">"L"</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"This version of openQCD needs you to provide the spatial length of the lattice as parameter 'L'."</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">L</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"L"</span><span class="p">)</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="mi">1</span>
|
|
<span class="k">if</span> <span class="s2">"r_start"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_start</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"r_start"</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s2">"r_stop"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">r_stop</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"r_stop"</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s2">"files"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">files</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"files"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">found</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">files</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="p">(</span><span class="n">dirpath</span><span class="p">,</span> <span class="n">dirnames</span><span class="p">,</span> <span class="n">filenames</span><span class="p">)</span> <span class="ow">in</span> <span class="n">os</span><span class="o">.</span><span class="n">walk</span><span class="p">(</span><span class="n">path</span> <span class="o">+</span> <span class="s2">"/"</span><span class="p">):</span>
|
|
<span class="c1"># print(filenames)</span>
|
|
<span class="n">found</span><span class="o">.</span><span class="n">extend</span><span class="p">(</span><span class="n">filenames</span><span class="p">)</span>
|
|
<span class="k">break</span>
|
|
<span class="k">for</span> <span class="n">f</span> <span class="ow">in</span> <span class="n">found</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="n">fnmatch</span><span class="o">.</span><span class="n">fnmatch</span><span class="p">(</span><span class="n">f</span><span class="p">,</span> <span class="n">prefix</span> <span class="o">+</span> <span class="s2">"*"</span> <span class="o">+</span> <span class="s2">".ms.dat"</span><span class="p">):</span>
|
|
<span class="n">files</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">f</span><span class="p">)</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">files</span><span class="p">)</span>
|
|
<span class="n">rep_names</span> <span class="o">=</span> <span class="p">[]</span>
|
|
|
|
<span class="n">deltas</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">idl</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">rep</span><span class="p">,</span> <span class="n">file</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">files</span><span class="p">):</span>
|
|
<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="s2">"/"</span> <span class="o">+</span> <span class="n">file</span><span class="p">,</span> <span class="s2">"rb"</span><span class="p">)</span> <span class="k">as</span> <span class="n">fp</span><span class="p">:</span>
|
|
<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">12</span><span class="p">)</span>
|
|
<span class="n">header</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">'<iii'</span><span class="p">,</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="c1"># step size in integration steps "dnms"</span>
|
|
<span class="n">dn</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="c1"># number of measurements, so "ntot"/dn</span>
|
|
<span class="n">nn</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span>
|
|
<span class="c1"># lattice T/a</span>
|
|
<span class="n">tmax</span> <span class="o">=</span> <span class="n">header</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span>
|
|
<span class="k">if</span> <span class="n">version</span> <span class="o">==</span> <span class="s2">"sfqcd"</span><span class="p">:</span>
|
|
<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">12</span><span class="p">)</span>
|
|
<span class="n">Ls</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">'<iii'</span><span class="p">,</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="k">if</span><span class="p">(</span><span class="n">Ls</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">==</span> <span class="n">Ls</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="ow">and</span> <span class="n">Ls</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">==</span> <span class="n">Ls</span><span class="p">[</span><span class="mi">2</span><span class="p">]):</span>
|
|
<span class="n">L</span> <span class="o">=</span> <span class="n">Ls</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="p">(</span><span class="n">supposed_L</span> <span class="o">==</span> <span class="n">L</span><span class="p">):</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"It seems the length given in the header and by you contradict each other"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"Found more than one spatial length in header!"</span><span class="p">)</span>
|
|
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'dnms:'</span><span class="p">,</span> <span class="n">dn</span><span class="p">)</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'nn:'</span><span class="p">,</span> <span class="n">nn</span><span class="p">)</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'tmax:'</span><span class="p">,</span> <span class="n">tmax</span><span class="p">)</span>
|
|
<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">8</span><span class="p">)</span>
|
|
<span class="n">eps</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">'d'</span><span class="p">,</span> <span class="n">t</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'eps:'</span><span class="p">,</span> <span class="n">eps</span><span class="p">)</span>
|
|
|
|
<span class="n">Q</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="n">ncs</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">while</span> <span class="mi">0</span> <span class="o"><</span> <span class="mi">1</span><span class="p">:</span>
|
|
<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="k">if</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">t</span><span class="p">)</span> <span class="o"><</span> <span class="mi">4</span><span class="p">):</span>
|
|
<span class="k">break</span>
|
|
<span class="n">ncs</span><span class="o">.</span><span class="n">append</span><span class="p">(</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>
|
|
<span class="c1"># Wsl</span>
|
|
<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">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="c1"># Ysl</span>
|
|
<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">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="c1"># Qsl, which is asked for in this method</span>
|
|
<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">8</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">))</span>
|
|
<span class="c1"># unpack the array of Qtops,</span>
|
|
<span class="c1"># on each timeslice t=0,...,tmax-1 and the</span>
|
|
<span class="c1"># measurement number in = 0...nn (see README.qcd1)</span>
|
|
<span class="n">tmpd</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">'d'</span> <span class="o">*</span> <span class="n">tmax</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span> <span class="o">+</span> <span class="mi">1</span><span class="p">),</span> <span class="n">t</span><span class="p">)</span>
|
|
<span class="n">Q</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">tmpd</span><span class="p">)</span>
|
|
|
|
<span class="k">if</span> <span class="ow">not</span> <span class="nb">len</span><span class="p">(</span><span class="nb">set</span><span class="p">([</span><span class="n">ncs</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="o">-</span> <span class="n">ncs</span><span class="p">[</span><span class="n">i</span> <span class="o">-</span> <span class="mi">1</span><span class="p">]</span> <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span> <span class="nb">len</span><span class="p">(</span><span class="n">ncs</span><span class="p">))])):</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"Irregularities in stepsize found"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s1">'steps'</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="n">steps</span> <span class="o">!=</span> <span class="n">ncs</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">-</span> <span class="n">ncs</span><span class="p">[</span><span class="mi">0</span><span class="p">]:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"steps and the found stepsize are not the same"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">steps</span> <span class="o">=</span> <span class="n">ncs</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">-</span> <span class="n">ncs</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
|
|
|
<span class="nb">print</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">Q</span><span class="p">))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'max_t:'</span><span class="p">,</span> <span class="n">dn</span> <span class="o">*</span> <span class="p">(</span><span class="n">nn</span><span class="p">)</span> <span class="o">*</span> <span class="n">eps</span><span class="p">)</span>
|
|
|
|
<span class="n">t_aim</span> <span class="o">=</span> <span class="p">(</span><span class="n">c</span> <span class="o">*</span> <span class="n">L</span><span class="p">)</span> <span class="o">**</span> <span class="mi">2</span> <span class="o">/</span> <span class="mi">8</span>
|
|
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'t_aim:'</span><span class="p">,</span> <span class="n">t_aim</span><span class="p">)</span>
|
|
<span class="n">index_aim</span> <span class="o">=</span> <span class="nb">round</span><span class="p">(</span><span class="n">t_aim</span> <span class="o">/</span> <span class="n">eps</span> <span class="o">/</span> <span class="n">dn</span><span class="p">)</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="s1">'index_aim:'</span><span class="p">,</span> <span class="n">index_aim</span><span class="p">)</span>
|
|
|
|
<span class="n">Q_sum</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">i</span><span class="p">,</span> <span class="n">item</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">Q</span><span class="p">):</span>
|
|
<span class="n">Q_sum</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="nb">sum</span><span class="p">(</span><span class="n">item</span><span class="p">[</span><span class="n">current</span><span class="p">:</span><span class="n">current</span> <span class="o">+</span> <span class="n">tmax</span><span class="p">])</span>
|
|
<span class="k">for</span> <span class="n">current</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span> <span class="nb">len</span><span class="p">(</span><span class="n">item</span><span class="p">),</span> <span class="n">tmax</span><span class="p">)])</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">Q_sum</span><span class="p">))</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">Q_sum</span><span class="p">[</span><span class="mi">0</span><span class="p">]))</span>
|
|
<span class="n">Q_round</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">Q</span><span class="p">)</span> <span class="o">//</span> <span class="n">dtr_cnfg</span><span class="p">):</span>
|
|
<span class="n">Q_round</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="nb">round</span><span class="p">(</span><span class="n">Q_sum</span><span class="p">[</span><span class="n">dtr_cnfg</span> <span class="o">*</span> <span class="n">i</span><span class="p">][</span><span class="n">index_aim</span><span class="p">]))</span>
|
|
<span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">Q_round</span><span class="p">)</span> <span class="o">!=</span> <span class="nb">len</span><span class="p">(</span><span class="n">ncs</span><span class="p">)</span> <span class="o">//</span> <span class="n">dtr_cnfg</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"qtops and ncs dont have the same length"</span><span class="p">)</span>
|
|
|
|
<span class="n">truncated_file</span> <span class="o">=</span> <span class="n">file</span><span class="p">[:</span><span class="o">-</span><span class="mi">7</span><span class="p">]</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">truncated_file</span><span class="p">)</span>
|
|
<span class="n">idl_start</span> <span class="o">=</span> <span class="mi">1</span>
|
|
|
|
<span class="k">if</span> <span class="s2">"r_start"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">Q_round</span> <span class="o">=</span> <span class="n">Q_round</span><span class="p">[</span><span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]:]</span>
|
|
<span class="n">idl_start</span> <span class="o">=</span> <span class="n">r_start</span><span class="p">[</span><span class="n">rep</span><span class="p">]</span>
|
|
<span class="k">if</span> <span class="s2">"r_stop"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">Q_round</span> <span class="o">=</span> <span class="n">Q_round</span><span class="p">[:</span><span class="n">r_stop</span><span class="p">[</span><span class="n">rep</span><span class="p">]]</span>
|
|
<span class="n">idl_stop</span> <span class="o">=</span> <span class="n">idl_start</span> <span class="o">+</span> <span class="nb">len</span><span class="p">(</span><span class="n">Q_round</span><span class="p">)</span>
|
|
<span class="c1"># keyword "names" prevails over "ens_name"</span>
|
|
<span class="k">if</span> <span class="s2">"names"</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="k">try</span><span class="p">:</span>
|
|
<span class="n">idx</span> <span class="o">=</span> <span class="n">truncated_file</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s1">'r'</span><span class="p">)</span>
|
|
<span class="k">except</span> <span class="ne">Exception</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s2">"names"</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"Automatic recognition of replicum failed, please enter the key word 'names'."</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s2">"ens_name"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">ens_name</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"ens_name"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">ens_name</span> <span class="o">=</span> <span class="n">truncated_file</span><span class="p">[:</span><span class="n">idx</span><span class="p">]</span>
|
|
<span class="n">rep_names</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">ens_name</span> <span class="o">+</span> <span class="s1">'|'</span> <span class="o">+</span> <span class="n">truncated_file</span><span class="p">[</span><span class="n">idx</span><span class="p">:])</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">names</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"names"</span><span class="p">)</span>
|
|
<span class="n">rep_names</span> <span class="o">=</span> <span class="n">names</span>
|
|
<span class="n">deltas</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">Q_round</span><span class="p">))</span>
|
|
<span class="n">idl</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="nb">range</span><span class="p">(</span><span class="n">idl_start</span><span class="p">,</span> <span class="n">idl_stop</span><span class="p">))</span>
|
|
<span class="n">result</span> <span class="o">=</span> <span class="n">Obs</span><span class="p">(</span><span class="n">deltas</span><span class="p">,</span> <span class="n">rep_names</span><span class="p">,</span> <span class="n">idl</span><span class="o">=</span><span class="n">idl</span><span class="p">)</span>
|
|
<span class="k">return</span> <span class="n">result</span>
|
|
</pre></div>
|
|
|
|
</details>
|
|
|
|
<div class="docstring"><p>Read qtop format from given folder structure.</p>
|
|
|
|
<h6 id="parameters">Parameters</h6>
|
|
|
|
<ul>
|
|
<li><strong>path:</strong>: path of the measurement files</li>
|
|
<li><strong>prefix:</strong>: prefix of the measurement files, e.g. <prefix>_id0_r0.ms.dat</li>
|
|
<li><strong>c</strong> (double):
|
|
Smearing radius in units of the lattice extent, c = sqrt(8 t0) / L</li>
|
|
<li><strong>dtr_cnfg</strong> (int):
|
|
(optional) parameter that specifies the number of trajectories
|
|
between two configs.
|
|
if it is not set, the distance between two measurements
|
|
in the file is assumed to be
|
|
the distance between two configurations.</li>
|
|
<li><strong>steps</strong> (int):
|
|
(optional) (maybe only necessary for openQCD2.0)
|
|
nt step size, guessed if not given</li>
|
|
<li><strong>version</strong> (str):
|
|
version string of the openQCD (sfqcd) version used to create
|
|
the ensemble</li>
|
|
<li><strong>L</strong> (int):
|
|
spatial length of the lattice in L/a.
|
|
HAS to be set if version != sfqcd, since openQCD does not provide
|
|
this in the header</li>
|
|
<li><strong>r_start</strong> (list):
|
|
offset of the first ensemble, making it easier to match
|
|
later on with other Obs</li>
|
|
<li><strong>r_stop</strong> (list):
|
|
last configurations that need to be read (per replicum)</li>
|
|
<li><strong>files</strong> (list):
|
|
specify the exact files that need to be read
|
|
from path, practical if e.g. only one replicum is needed</li>
|
|
<li><strong>names</strong> (list):
|
|
Alternative labeling for replicas/ensembles.
|
|
Has to have the appropriate length</li>
|
|
</ul>
|
|
</div>
|
|
|
|
|
|
</section>
|
|
<section id="read_qtop_sector">
|
|
<div class="attr function"><a class="headerlink" href="#read_qtop_sector">#  </a>
|
|
|
|
|
|
<span class="def">def</span>
|
|
<span class="name">read_qtop_sector</span><span class="signature">(target=0, **kwargs)</span>:
|
|
</div>
|
|
|
|
<details>
|
|
<summary>View Source</summary>
|
|
<div class="codehilite"><pre><span></span><span class="k">def</span> <span class="nf">read_qtop_sector</span><span class="p">(</span><span class="n">target</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
|
|
<span class="sd">"""target: int</span>
|
|
<span class="sd"> specifies the topological sector to be reweighted to (default 0)</span>
|
|
<span class="sd"> q_top: Obs</span>
|
|
<span class="sd"> alternatively takes args of read_qtop method as kwargs</span>
|
|
<span class="sd"> """</span>
|
|
<span class="k">if</span> <span class="s2">"q_top"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">qtop</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"q_top"</span><span class="p">)</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">if</span> <span class="s2">"path"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">path</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"path"</span><span class="p">)</span>
|
|
<span class="k">del</span> <span class="n">kwargs</span><span class="p">[</span><span class="s2">"path"</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"If you are not providing q_top, please provide path"</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s2">"prefix"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">prefix</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"prefix"</span><span class="p">)</span>
|
|
<span class="k">del</span> <span class="n">kwargs</span><span class="p">[</span><span class="s2">"prefix"</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"If you are not providing q_top, please provide prefix"</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s2">"c"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">c</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"c"</span><span class="p">)</span>
|
|
<span class="k">del</span> <span class="n">kwargs</span><span class="p">[</span><span class="s2">"c"</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"If you are not providing q_top, please provide c"</span><span class="p">)</span>
|
|
<span class="k">if</span> <span class="s2">"version"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">version</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"version"</span><span class="p">)</span>
|
|
<span class="k">del</span> <span class="n">kwargs</span><span class="p">[</span><span class="s2">"version"</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">version</span> <span class="o">=</span> <span class="s2">"1.2"</span>
|
|
<span class="k">if</span> <span class="s2">"dtr_cnfg"</span> <span class="ow">in</span> <span class="n">kwargs</span><span class="p">:</span>
|
|
<span class="n">dtr_cnfg</span> <span class="o">=</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s2">"dtr_cnfg"</span><span class="p">)</span>
|
|
<span class="k">del</span> <span class="n">kwargs</span><span class="p">[</span><span class="s2">"dtr_cnfg"</span><span class="p">]</span>
|
|
<span class="k">else</span><span class="p">:</span>
|
|
<span class="n">dtr_cnfg</span> <span class="o">=</span> <span class="mi">1</span>
|
|
<span class="n">qtop</span> <span class="o">=</span> <span class="n">read_qtop</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="n">c</span><span class="p">,</span> <span class="n">dtr_cnfg</span><span class="o">=</span><span class="n">dtr_cnfg</span><span class="p">,</span>
|
|
<span class="n">version</span><span class="o">=</span><span class="n">version</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">)</span>
|
|
<span class="n">names</span> <span class="o">=</span> <span class="n">qtop</span><span class="o">.</span><span class="n">names</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">names</span><span class="p">)</span>
|
|
<span class="nb">print</span><span class="p">(</span><span class="n">qtop</span><span class="o">.</span><span class="n">deltas</span><span class="o">.</span><span class="n">keys</span><span class="p">())</span>
|
|
<span class="n">proj_qtop</span> <span class="o">=</span> <span class="p">[]</span>
|
|
<span class="k">for</span> <span class="n">n</span> <span class="ow">in</span> <span class="n">qtop</span><span class="o">.</span><span class="n">deltas</span><span class="p">:</span>
|
|
<span class="n">proj_qtop</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">([</span><span class="mi">1</span> <span class="k">if</span> <span class="nb">int</span><span class="p">(</span><span class="n">qtop</span><span class="o">.</span><span class="n">value</span> <span class="o">+</span> <span class="n">q</span><span class="p">)</span> <span class="o">==</span> <span class="n">target</span> <span class="k">else</span> <span class="mi">0</span> <span class="k">for</span> <span class="n">q</span> <span class="ow">in</span> <span class="n">qtop</span><span class="o">.</span><span class="n">deltas</span><span class="p">[</span><span class="n">n</span><span class="p">]]))</span>
|
|
|
|
<span class="n">result</span> <span class="o">=</span> <span class="n">Obs</span><span class="p">(</span><span class="n">proj_qtop</span><span class="p">,</span> <span class="n">qtop</span><span class="o">.</span><span class="n">names</span><span class="p">)</span>
|
|
<span class="k">return</span> <span class="n">result</span>
|
|
</pre></div>
|
|
|
|
</details>
|
|
|
|
<div class="docstring"><p>target: int
|
|
specifies the topological sector to be reweighted to (default 0)
|
|
q_top: Obs
|
|
alternatively takes args of read_qtop method as kwargs</p>
|
|
</div>
|
|
|
|
|
|
</section>
|
|
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|
|
currentContent.querySelector(".search-result").classList.add("focused");
|
|
} else if (
|
|
e.key === "ArrowDown"
|
|
&& focused.nextElementSibling
|
|
&& focused.nextElementSibling.classList.contains("search-result")
|
|
) {
|
|
focused.classList.remove("focused");
|
|
focused.nextElementSibling.classList.add("focused");
|
|
focused.nextElementSibling.scrollIntoView({
|
|
behavior: "smooth",
|
|
block: "nearest",
|
|
inline: "nearest"
|
|
});
|
|
} else if (
|
|
e.key === "ArrowUp"
|
|
&& focused.previousElementSibling
|
|
&& focused.previousElementSibling.classList.contains("search-result")
|
|
) {
|
|
focused.classList.remove("focused");
|
|
focused.previousElementSibling.classList.add("focused");
|
|
focused.previousElementSibling.scrollIntoView({
|
|
behavior: "smooth",
|
|
block: "nearest",
|
|
inline: "nearest"
|
|
});
|
|
} else if (
|
|
e.key === "Enter"
|
|
) {
|
|
focused.querySelector("a").click();
|
|
}
|
|
}
|
|
});
|
|
</script></body>
|
|
</html> |