Diff of /tests/utils.py [000000] .. [3b722e]

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a b/tests/utils.py
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"""Common utils for testing purposes"""
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from random import shuffle
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import oddt
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from oddt.utils import is_openbabel_molecule
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def shuffle_mol(mol):
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    """Randomly reorder molecule atoms and return a shuffled copy of input."""
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    new_mol = mol.clone
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    new_order = list(range(len(mol.atoms)))
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    shuffle(new_order)
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    if is_openbabel_molecule(mol):
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        new_mol.OBMol.RenumberAtoms([i + 1 for i in new_order])
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    else:
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        new_mol.Mol = oddt.toolkits.rdk.Chem.RenumberAtoms(new_mol.Mol, new_order)
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    return new_mol