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rmsd/calculate_rmsd.py

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -824,7 +824,7 @@ def hungarian_vectors(
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) -> ndarray:
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"""
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Hungarian cost assignment of a similiarty molecule kernel.
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Hungarian cost assignment of a similarity molecule kernel.
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Note: Assumes p and q are atoms of same type
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@@ -1046,7 +1046,7 @@ def reorder_inertia_hungarian(
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**kwargs: Any,
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) -> ndarray:
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"""
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First, align structures with the intertia moment eignvectors, then using
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First, align structures with the inertia moment eigenvectors, then using
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distance hungarian, assign the best possible atom pair combinations. While
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also checking all possible reflections of intertia moments, selecting the
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one with minimal RMSD.
@@ -1370,7 +1370,7 @@ def get_cm(atoms: ndarray, V: ndarray) -> ndarray:
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def get_inertia_tensor(atoms: ndarray, coord: ndarray) -> ndarray:
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"""
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Get the tensor of intertia of V.
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Get the tensor of inertia of V.
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----------
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atoms : list
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List of atomic types

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