Compare 4b289af ... +0 ... 205a79b


@@ -55,8 +55,8 @@
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        # exclude conformers for which job did not finish (nan)
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        nanIndices = np.argwhere(np.isnan(data_array))
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        for i in reversed(nanIndices):  # loop in reverse to delete correctly
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            data_array = np.delete(data_array, i)
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        for j in reversed(nanIndices):  # loop in reverse to delete correctly
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            data_array = np.delete(data_array, j)
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        if take_relative:
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            data_array = data_array - np.amin(data_array)

@@ -14,9 +14,7 @@
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import numpy as np
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import operator as o
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from scipy import stats
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import matplotlib.pyplot as plt
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import matplotlib.cm as cm
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import quanformer.proc_tags as pt
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import quanformer.reader as reader

@@ -15,7 +15,6 @@
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import os
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import warnings
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import openeye.oechem as oechem
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import quanformer.reader as reader

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Files Coverage
quanformer -0.05% 51.80%
Project Totals (24 files) 51.80%
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