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add new unittests for dihedral_tools.py
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CodeEntropy/dihedral_tools.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -335,12 +335,12 @@ def _assign_states(
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from the histogram.
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Then combine these to form states for each molecule.
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"""
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conformations = []
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states = []
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states = None
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# get the values of the angle for the dihedral
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# dihedral angle values have a range from -180 to 180
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for molecule in molecules:
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conformations = []
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mol = self._universe_operations.get_molecule_container(
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data_container, molecule
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)

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