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2 changed files with 8 additions and 16 deletions
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@ -754,17 +754,15 @@
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<span class="sd"> """</span>
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<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">is_zero</span><span class="p">()</span> <span class="ow">or</span> <span class="n">np</span><span class="o">.</span><span class="n">abs</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">value</span><span class="p">)</span> <span class="o"><=</span> <span class="n">sigma</span> <span class="o">*</span> <span class="bp">self</span><span class="o">.</span><span class="n">_dvalue</span>
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<span class="k">def</span> <span class="nf">is_zero</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">rtol</span><span class="o">=</span><span class="mf">1e-14</span><span class="p">,</span> <span class="n">atol</span><span class="o">=</span><span class="mf">1e-10</span><span class="p">):</span>
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<span class="k">def</span> <span class="nf">is_zero</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">atol</span><span class="o">=</span><span class="mf">1e-10</span><span class="p">):</span>
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<span class="sd">"""Checks whether the observable is zero within a given tolerance.</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"> rtol : float</span>
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<span class="sd"> Relative tolerance (for details see numpy documentation).</span>
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<span class="sd"> atol : float</span>
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<span class="sd"> Absolute tolerance (for details see numpy documentation).</span>
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<span class="sd"> """</span>
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<span class="k">return</span> <span class="n">np</span><span class="o">.</span><span class="n">isclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="bp">self</span><span class="o">.</span><span class="n">value</span><span class="p">,</span> <span class="n">rtol</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="ow">and</span> <span class="nb">all</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">delta</span><span class="p">,</span> <span class="n">rtol</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="k">for</span> <span class="n">delta</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">deltas</span><span class="o">.</span><span class="n">values</span><span class="p">())</span> <span class="ow">and</span> <span class="nb">all</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">delta</span><span class="o">.</span><span class="n">errsq</span><span class="p">(),</span> <span class="n">rtol</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="k">for</span> <span class="n">delta</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">covobs</span><span class="o">.</span><span class="n">values</span><span class="p">())</span>
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<span class="k">return</span> <span class="n">np</span><span class="o">.</span><span class="n">isclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="bp">self</span><span class="o">.</span><span class="n">value</span><span class="p">,</span> <span class="mf">1e-14</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="ow">and</span> <span class="nb">all</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">delta</span><span class="p">,</span> <span class="mf">1e-14</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="k">for</span> <span class="n">delta</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">deltas</span><span class="o">.</span><span class="n">values</span><span class="p">())</span> <span class="ow">and</span> <span class="nb">all</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">delta</span><span class="o">.</span><span class="n">errsq</span><span class="p">(),</span> <span class="mf">1e-14</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="k">for</span> <span class="n">delta</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">covobs</span><span class="o">.</span><span class="n">values</span><span class="p">())</span>
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<span class="k">def</span> <span class="nf">plot_tauint</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">save</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
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<span class="sd">"""Plot integrated autocorrelation time for each ensemble.</span>
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@ -2323,17 +2321,15 @@
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<span class="sd"> """</span>
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<span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">is_zero</span><span class="p">()</span> <span class="ow">or</span> <span class="n">np</span><span class="o">.</span><span class="n">abs</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">value</span><span class="p">)</span> <span class="o"><=</span> <span class="n">sigma</span> <span class="o">*</span> <span class="bp">self</span><span class="o">.</span><span class="n">_dvalue</span>
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<span class="k">def</span> <span class="nf">is_zero</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">rtol</span><span class="o">=</span><span class="mf">1e-14</span><span class="p">,</span> <span class="n">atol</span><span class="o">=</span><span class="mf">1e-10</span><span class="p">):</span>
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<span class="k">def</span> <span class="nf">is_zero</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">atol</span><span class="o">=</span><span class="mf">1e-10</span><span class="p">):</span>
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<span class="sd">"""Checks whether the observable is zero within a given tolerance.</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"> rtol : float</span>
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<span class="sd"> Relative tolerance (for details see numpy documentation).</span>
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<span class="sd"> atol : float</span>
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<span class="sd"> Absolute tolerance (for details see numpy documentation).</span>
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<span class="sd"> """</span>
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<span class="k">return</span> <span class="n">np</span><span class="o">.</span><span class="n">isclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="bp">self</span><span class="o">.</span><span class="n">value</span><span class="p">,</span> <span class="n">rtol</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="ow">and</span> <span class="nb">all</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">delta</span><span class="p">,</span> <span class="n">rtol</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="k">for</span> <span class="n">delta</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">deltas</span><span class="o">.</span><span class="n">values</span><span class="p">())</span> <span class="ow">and</span> <span class="nb">all</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">delta</span><span class="o">.</span><span class="n">errsq</span><span class="p">(),</span> <span class="n">rtol</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="k">for</span> <span class="n">delta</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">covobs</span><span class="o">.</span><span class="n">values</span><span class="p">())</span>
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<span class="k">return</span> <span class="n">np</span><span class="o">.</span><span class="n">isclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="bp">self</span><span class="o">.</span><span class="n">value</span><span class="p">,</span> <span class="mf">1e-14</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="ow">and</span> <span class="nb">all</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">delta</span><span class="p">,</span> <span class="mf">1e-14</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="k">for</span> <span class="n">delta</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">deltas</span><span class="o">.</span><span class="n">values</span><span class="p">())</span> <span class="ow">and</span> <span class="nb">all</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">delta</span><span class="o">.</span><span class="n">errsq</span><span class="p">(),</span> <span class="mf">1e-14</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="k">for</span> <span class="n">delta</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">covobs</span><span class="o">.</span><span class="n">values</span><span class="p">())</span>
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<span class="k">def</span> <span class="nf">plot_tauint</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">save</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
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<span class="sd">"""Plot integrated autocorrelation time for each ensemble.</span>
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@ -3397,22 +3393,20 @@ Number of standard errors used for the check.</li>
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<span class="def">def</span>
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<span class="name">is_zero</span><span class="signature">(self, rtol=1e-14, atol=1e-10)</span>:
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<span class="name">is_zero</span><span class="signature">(self, atol=1e-10)</span>:
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</div>
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<details>
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<summary>View Source</summary>
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<div class="pdoc-code codehilite"><pre><span></span> <span class="k">def</span> <span class="nf">is_zero</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">rtol</span><span class="o">=</span><span class="mf">1e-14</span><span class="p">,</span> <span class="n">atol</span><span class="o">=</span><span class="mf">1e-10</span><span class="p">):</span>
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<div class="pdoc-code codehilite"><pre><span></span> <span class="k">def</span> <span class="nf">is_zero</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">atol</span><span class="o">=</span><span class="mf">1e-10</span><span class="p">):</span>
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<span class="sd">"""Checks whether the observable is zero within a given tolerance.</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"> rtol : float</span>
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<span class="sd"> Relative tolerance (for details see numpy documentation).</span>
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<span class="sd"> atol : float</span>
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<span class="sd"> Absolute tolerance (for details see numpy documentation).</span>
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<span class="sd"> """</span>
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<span class="k">return</span> <span class="n">np</span><span class="o">.</span><span class="n">isclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="bp">self</span><span class="o">.</span><span class="n">value</span><span class="p">,</span> <span class="n">rtol</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="ow">and</span> <span class="nb">all</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">delta</span><span class="p">,</span> <span class="n">rtol</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="k">for</span> <span class="n">delta</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">deltas</span><span class="o">.</span><span class="n">values</span><span class="p">())</span> <span class="ow">and</span> <span class="nb">all</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">delta</span><span class="o">.</span><span class="n">errsq</span><span class="p">(),</span> <span class="n">rtol</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="k">for</span> <span class="n">delta</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">covobs</span><span class="o">.</span><span class="n">values</span><span class="p">())</span>
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<span class="k">return</span> <span class="n">np</span><span class="o">.</span><span class="n">isclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="bp">self</span><span class="o">.</span><span class="n">value</span><span class="p">,</span> <span class="mf">1e-14</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="ow">and</span> <span class="nb">all</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">delta</span><span class="p">,</span> <span class="mf">1e-14</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="k">for</span> <span class="n">delta</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">deltas</span><span class="o">.</span><span class="n">values</span><span class="p">())</span> <span class="ow">and</span> <span class="nb">all</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">delta</span><span class="o">.</span><span class="n">errsq</span><span class="p">(),</span> <span class="mf">1e-14</span><span class="p">,</span> <span class="n">atol</span><span class="p">)</span> <span class="k">for</span> <span class="n">delta</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">covobs</span><span class="o">.</span><span class="n">values</span><span class="p">())</span>
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</pre></div>
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</details>
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<h6 id="parameters">Parameters</h6>
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<ul>
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<li><strong>rtol</strong> (float):
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Relative tolerance (for details see numpy documentation).</li>
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<li><strong>atol</strong> (float):
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Absolute tolerance (for details see numpy documentation).</li>
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</ul>
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