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Commit b22f0ca1 authored by Martin Kuban's avatar Martin Kuban
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Added equal function for fingerprints

parent 562ae7d2
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......@@ -47,6 +47,9 @@ class DOSFingerprint():
def get_similarities(self, list_of_fingerprints):
return np.array([self.similarity_function(self, fp) for fp in list_of_fingerprints])
def __eq__(self, other):
return self.bins == other.bins and self.indices == other.indices and self.stepsize == other.stepsize and self.grid_id == other.grid_id and self.filling_factor == other.filling_factor
def _integrate_to_bins(self, xs, ys):
"""
Performs stepwise numerical integration of ``ys`` over the range of ``xs``. The stepsize of the generated histogram is controlled by DOSFingerprint().stepsize.
......
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