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_modules/diffpy/utils/parsers/resample.html

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@@ -188,7 +188,6 @@ <h1>Source code for diffpy.utils.parsers.resample</h1><div class="highlight"><pr
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<span class="k">return</span> <span class="n">rnew</span><span class="p">,</span> <span class="n">snew</span>
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<span class="k">elif</span> <span class="n">dr0</span> <span class="o">&gt;</span> <span class="n">dr</span><span class="p">:</span>
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<span class="c1"># Tried to pad the end of s to dampen, but nothing works.</span>
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<span class="c1"># m = (s[-1] - s[-2]) / dr0</span>
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<span class="c1"># b = (s[-2] * r[-1] - s[-1] * r[-2]) / dr0</span>

_modules/diffpy/utils/parsers/serialization.html

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@@ -91,12 +91,13 @@ <h1>Source code for diffpy.utils.parsers.serialization</h1><div class="highlight
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<span class="c1">#</span>
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<span class="c1">##############################################################################</span>
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<span class="kn">import</span> <span class="nn">pathlib</span>
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<span class="kn">import</span> <span class="nn">json</span>
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<span class="kn">import</span> <span class="nn">pathlib</span>
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<span class="kn">import</span> <span class="nn">warnings</span>
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<span class="kn">import</span> <span class="nn">numpy</span>
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<span class="kn">from</span> <span class="nn">.custom_exceptions</span> <span class="kn">import</span> <span class="n">UnsupportedTypeError</span><span class="p">,</span> <span class="n">ImproperSizeError</span>
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<span class="kn">import</span> <span class="nn">warnings</span>
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<span class="kn">from</span> <span class="nn">.custom_exceptions</span> <span class="kn">import</span> <span class="n">ImproperSizeError</span><span class="p">,</span> <span class="n">UnsupportedTypeError</span>
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<span class="c1"># FIXME: add support for yaml, xml</span>
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<span class="n">supported_formats</span> <span class="o">=</span> <span class="p">[</span><span class="s2">&quot;.json&quot;</span><span class="p">]</span>
@@ -164,12 +165,8 @@ <h1>Source code for diffpy.utils.parsers.serialization</h1><div class="highlight
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<span class="n">num_columns</span> <span class="o">=</span> <span class="p">[</span><span class="nb">len</span><span class="p">(</span><span class="n">row</span><span class="p">)</span> <span class="k">for</span> <span class="n">row</span> <span class="ow">in</span> <span class="n">data_table</span><span class="p">]</span>
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<span class="n">max_columns</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">num_columns</span><span class="p">)</span>
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<span class="n">num_col_names</span> <span class="o">=</span> <span class="nb">len</span><span class="p">(</span><span class="n">dt_colnames</span><span class="p">)</span>
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<span class="k">if</span> <span class="p">(</span>
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<span class="n">max_columns</span> <span class="o">&lt;</span> <span class="n">num_col_names</span>
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<span class="p">):</span> <span class="c1"># assume numpy.loadtxt gives non-irregular array</span>
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<span class="k">raise</span> <span class="n">ImproperSizeError</span><span class="p">(</span>
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<span class="s2">&quot;More entries in dt_colnames than columns in data_table.&quot;</span>
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<span class="p">)</span>
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<span class="k">if</span> <span class="n">max_columns</span> <span class="o">&lt;</span> <span class="n">num_col_names</span><span class="p">:</span> <span class="c1"># assume numpy.loadtxt gives non-irregular array</span>
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<span class="k">raise</span> <span class="n">ImproperSizeError</span><span class="p">(</span><span class="s2">&quot;More entries in dt_colnames than columns in data_table.&quot;</span><span class="p">)</span>
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<span class="n">named_columns</span> <span class="o">=</span> <span class="mi">0</span>
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<span class="k">for</span> <span class="n">idx</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">num_col_names</span><span class="p">):</span>
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<span class="n">colname</span> <span class="o">=</span> <span class="n">dt_colnames</span><span class="p">[</span><span class="n">idx</span><span class="p">]</span>

index.html

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@@ -83,7 +83,7 @@ <h1>diffpy.utils documentation<a class="headerlink" href="#diffpy-utils-document
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<p>diffpy.utils - general purpose shared utilities for the diffpy libraries.</p>
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<div class="line-block">
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<div class="line">Software version 3.3.1.</div>
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<div class="line">Last updated May 31, 2024.</div>
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<div class="line">Last updated June 01, 2024.</div>
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</div>
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<p>The diffpy.utils package provides general functions for extracting data from variously formatted text files as well as
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some PDF-specific functionality. These include wx GUI utilities used by the PDFgui program and an interpolation function

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