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-2114
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_modules/dials/algorithms/indexing.html

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<meta charset="utf-8" />
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<meta name="viewport" content="width=device-width, initial-scale=1.0" />
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<title>dials.algorithms.indexing &#8212; DIALS documentation</title>
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<link rel="stylesheet" type="text/css" href="../../../_static/pygments.css?v=fa44fd50" />
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<link rel="stylesheet" type="text/css" href="../../../_static/pygments.css?v=03e43079" />
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<link rel="stylesheet" type="text/css" href="../../../_static/basic.css?v=686e5160" />
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<link rel="stylesheet" type="text/css" href="../../../_static/alabaster.css?v=27fed22d" />
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<link rel="stylesheet" href="../../../_static/dials-styles.css" type="text/css" />
@@ -43,23 +43,23 @@
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<div class="body" role="main">
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<h1>Source code for dials.algorithms.indexing</h1><div class="highlight"><pre>
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<span></span><span class="kn">from</span> <span class="nn">__future__</span> <span class="kn">import</span> <span class="n">annotations</span>
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<span></span><span class="kn">from</span><span class="w"> </span><span class="nn">__future__</span><span class="w"> </span><span class="kn">import</span> <span class="n">annotations</span>
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<span class="kn">import</span> <span class="nn">dials_algorithms_indexing_ext</span> <span class="k">as</span> <span class="nn">ext</span>
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<span class="kn">import</span><span class="w"> </span><span class="nn">dials_algorithms_indexing_ext</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">ext</span>
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<span class="n">sampling_volume_map</span> <span class="o">=</span> <span class="n">ext</span><span class="o">.</span><span class="n">sampling_volume_map</span>
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<div class="viewcode-block" id="DialsIndexError">
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<a class="viewcode-back" href="../../../documentation/library_reference/algorithms/dials.algorithms.indexing.html#dials.algorithms.indexing.DialsIndexError">[docs]</a>
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<span class="k">class</span> <span class="nc">DialsIndexError</span><span class="p">(</span><span class="ne">RuntimeError</span><span class="p">):</span>
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<span class="k">class</span><span class="w"> </span><span class="nc">DialsIndexError</span><span class="p">(</span><span class="ne">RuntimeError</span><span class="p">):</span>
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<span class="k">pass</span></div>
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<div class="viewcode-block" id="DialsIndexRefineError">
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<a class="viewcode-back" href="../../../documentation/library_reference/algorithms/dials.algorithms.indexing.html#dials.algorithms.indexing.DialsIndexRefineError">[docs]</a>
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<span class="k">class</span> <span class="nc">DialsIndexRefineError</span><span class="p">(</span><span class="n">DialsIndexError</span><span class="p">):</span>
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<span class="k">class</span><span class="w"> </span><span class="nc">DialsIndexRefineError</span><span class="p">(</span><span class="n">DialsIndexError</span><span class="p">):</span>
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<span class="k">pass</span></div>
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</pre></div>

_modules/dials/algorithms/indexing/assign_indices.html

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<meta charset="utf-8" />
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<meta name="viewport" content="width=device-width, initial-scale=1.0" />
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<title>dials.algorithms.indexing.assign_indices &#8212; DIALS documentation</title>
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<link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
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<link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=03e43079" />
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<link rel="stylesheet" type="text/css" href="../../../../_static/basic.css?v=686e5160" />
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<link rel="stylesheet" type="text/css" href="../../../../_static/alabaster.css?v=27fed22d" />
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<link rel="stylesheet" href="../../../../_static/dials-styles.css" type="text/css" />
@@ -43,39 +43,39 @@
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<div class="body" role="main">
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<h1>Source code for dials.algorithms.indexing.assign_indices</h1><div class="highlight"><pre>
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<span></span><span class="kn">from</span> <span class="nn">__future__</span> <span class="kn">import</span> <span class="n">annotations</span>
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<span></span><span class="kn">from</span><span class="w"> </span><span class="nn">__future__</span><span class="w"> </span><span class="kn">import</span> <span class="n">annotations</span>
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<span class="kn">from</span> <span class="nn">cctbx.array_family</span> <span class="kn">import</span> <span class="n">flex</span>
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<span class="kn">from</span><span class="w"> </span><span class="nn">cctbx.array_family</span><span class="w"> </span><span class="kn">import</span> <span class="n">flex</span>
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<span class="kn">import</span> <span class="nn">dials_algorithms_indexing_ext</span> <span class="k">as</span> <span class="nn">ext</span>
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<span class="kn">from</span> <span class="nn">dials.algorithms.indexing</span> <span class="kn">import</span> <span class="n">DialsIndexError</span>
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<span class="kn">import</span><span class="w"> </span><span class="nn">dials_algorithms_indexing_ext</span><span class="w"> </span><span class="k">as</span><span class="w"> </span><span class="nn">ext</span>
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<span class="kn">from</span><span class="w"> </span><span class="nn">dials.algorithms.indexing</span><span class="w"> </span><span class="kn">import</span> <span class="n">DialsIndexError</span>
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<div class="viewcode-block" id="AssignIndicesStrategy">
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<a class="viewcode-back" href="../../../../documentation/library_reference/algorithms/dials.algorithms.indexing.html#dials.algorithms.indexing.assign_indices.AssignIndicesStrategy">[docs]</a>
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<span class="k">class</span> <span class="nc">AssignIndicesStrategy</span><span class="p">:</span>
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<span class="k">class</span><span class="w"> </span><span class="nc">AssignIndicesStrategy</span><span class="p">:</span>
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<div class="viewcode-block" id="AssignIndicesStrategy.__init__">
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<a class="viewcode-back" href="../../../../documentation/library_reference/algorithms/dials.algorithms.indexing.html#dials.algorithms.indexing.assign_indices.AssignIndicesStrategy.__init__">[docs]</a>
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<span class="k">def</span> <span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">d_min</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
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<span class="k">def</span><span class="w"> </span><span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">d_min</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
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<span class="bp">self</span><span class="o">.</span><span class="n">_d_min</span> <span class="o">=</span> <span class="n">d_min</span></div>
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<span class="k">def</span> <span class="fm">__call__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">reciprocal_lattice_vectors</span><span class="p">):</span>
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<span class="k">def</span><span class="w"> </span><span class="fm">__call__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">reciprocal_lattice_vectors</span><span class="p">):</span>
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<span class="k">raise</span> <span class="ne">NotImplementedError</span><span class="p">()</span></div>
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6868
<div class="viewcode-block" id="AssignIndicesGlobal">
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<a class="viewcode-back" href="../../../../documentation/library_reference/algorithms/dials.algorithms.indexing.html#dials.algorithms.indexing.assign_indices.AssignIndicesGlobal">[docs]</a>
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<span class="k">class</span> <span class="nc">AssignIndicesGlobal</span><span class="p">(</span><span class="n">AssignIndicesStrategy</span><span class="p">):</span>
70+
<span class="k">class</span><span class="w"> </span><span class="nc">AssignIndicesGlobal</span><span class="p">(</span><span class="n">AssignIndicesStrategy</span><span class="p">):</span>
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<div class="viewcode-block" id="AssignIndicesGlobal.__init__">
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<a class="viewcode-back" href="../../../../documentation/library_reference/algorithms/dials.algorithms.indexing.html#dials.algorithms.indexing.assign_indices.AssignIndicesGlobal.__init__">[docs]</a>
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<span class="k">def</span> <span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">tolerance</span><span class="o">=</span><span class="mf">0.3</span><span class="p">):</span>
73+
<span class="k">def</span><span class="w"> </span><span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">tolerance</span><span class="o">=</span><span class="mf">0.3</span><span class="p">):</span>
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<span class="nb">super</span><span class="p">()</span><span class="o">.</span><span class="fm">__init__</span><span class="p">()</span>
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<span class="bp">self</span><span class="o">.</span><span class="n">_tolerance</span> <span class="o">=</span> <span class="n">tolerance</span></div>
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<span class="k">def</span> <span class="fm">__call__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">reflections</span><span class="p">,</span> <span class="n">experiments</span><span class="p">,</span> <span class="n">d_min</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
78+
<span class="k">def</span><span class="w"> </span><span class="fm">__call__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">reflections</span><span class="p">,</span> <span class="n">experiments</span><span class="p">,</span> <span class="n">d_min</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
7979
<span class="n">reciprocal_lattice_points</span> <span class="o">=</span> <span class="n">reflections</span><span class="p">[</span><span class="s2">&quot;rlp&quot;</span><span class="p">]</span>
8080
<span class="n">reflections</span><span class="p">[</span><span class="s2">&quot;miller_index&quot;</span><span class="p">]</span> <span class="o">=</span> <span class="n">flex</span><span class="o">.</span><span class="n">miller_index</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">reflections</span><span class="p">),</span> <span class="p">(</span><span class="mi">0</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span> <span class="mi">0</span><span class="p">))</span>
8181
<span class="k">if</span> <span class="n">d_min</span> <span class="ow">is</span> <span class="ow">not</span> <span class="kc">None</span><span class="p">:</span>
@@ -128,10 +128,10 @@ <h1>Source code for dials.algorithms.indexing.assign_indices</h1><div class="hig
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<div class="viewcode-block" id="AssignIndicesLocal">
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<a class="viewcode-back" href="../../../../documentation/library_reference/algorithms/dials.algorithms.indexing.html#dials.algorithms.indexing.assign_indices.AssignIndicesLocal">[docs]</a>
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<span class="k">class</span> <span class="nc">AssignIndicesLocal</span><span class="p">(</span><span class="n">AssignIndicesStrategy</span><span class="p">):</span>
131+
<span class="k">class</span><span class="w"> </span><span class="nc">AssignIndicesLocal</span><span class="p">(</span><span class="n">AssignIndicesStrategy</span><span class="p">):</span>
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<div class="viewcode-block" id="AssignIndicesLocal.__init__">
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<a class="viewcode-back" href="../../../../documentation/library_reference/algorithms/dials.algorithms.indexing.html#dials.algorithms.indexing.assign_indices.AssignIndicesLocal.__init__">[docs]</a>
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<span class="k">def</span> <span class="fm">__init__</span><span class="p">(</span>
134+
<span class="k">def</span><span class="w"> </span><span class="fm">__init__</span><span class="p">(</span>
135135
<span class="bp">self</span><span class="p">,</span> <span class="n">d_min</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> <span class="n">epsilon</span><span class="o">=</span><span class="mf">0.05</span><span class="p">,</span> <span class="n">delta</span><span class="o">=</span><span class="mi">8</span><span class="p">,</span> <span class="n">l_min</span><span class="o">=</span><span class="mf">0.8</span><span class="p">,</span> <span class="n">nearest_neighbours</span><span class="o">=</span><span class="mi">20</span>
136136
<span class="p">):</span>
137137
<span class="nb">super</span><span class="p">()</span><span class="o">.</span><span class="fm">__init__</span><span class="p">()</span>
@@ -141,9 +141,9 @@ <h1>Source code for dials.algorithms.indexing.assign_indices</h1><div class="hig
141141
<span class="bp">self</span><span class="o">.</span><span class="n">_nearest_neighbours</span> <span class="o">=</span> <span class="n">nearest_neighbours</span></div>
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143143

144-
<span class="k">def</span> <span class="fm">__call__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">reflections</span><span class="p">,</span> <span class="n">experiments</span><span class="p">,</span> <span class="n">d_min</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
145-
<span class="kn">from</span> <span class="nn">libtbx.math_utils</span> <span class="kn">import</span> <span class="n">nearest_integer</span> <span class="k">as</span> <span class="n">nint</span>
146-
<span class="kn">from</span> <span class="nn">scitbx</span> <span class="kn">import</span> <span class="n">matrix</span>
144+
<span class="k">def</span><span class="w"> </span><span class="fm">__call__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">reflections</span><span class="p">,</span> <span class="n">experiments</span><span class="p">,</span> <span class="n">d_min</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
145+
<span class="kn">from</span><span class="w"> </span><span class="nn">libtbx.math_utils</span><span class="w"> </span><span class="kn">import</span> <span class="n">nearest_integer</span> <span class="k">as</span> <span class="n">nint</span>
146+
<span class="kn">from</span><span class="w"> </span><span class="nn">scitbx</span><span class="w"> </span><span class="kn">import</span> <span class="n">matrix</span>
147147

148148
<span class="n">reciprocal_lattice_points</span> <span class="o">=</span> <span class="n">reflections</span><span class="p">[</span><span class="s2">&quot;rlp&quot;</span><span class="p">]</span>
149149
<span class="k">if</span> <span class="s2">&quot;miller_index&quot;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">reflections</span><span class="p">:</span>

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