Esempio n. 1
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    def __init__(self, affected_atoms, transformation):
        """Initialize a new MolecularDistortion object

           Arguments:
             affected_atoms  --  a list of atoms that undergo the transformation
             transformation  --  a transformation object
        """
        self.affected_atoms = affected_atoms
        self.transformation = Complete.cast(transformation)
Esempio n. 2
0
    def __init__(self, affected_atoms, transformation):
        """Initialize a new MolecularDistortion object

           Arguments:
             affected_atoms  --  a list of atoms that undergo the transformation
             transformation  --  a transformation object
        """
        self.affected_atoms = affected_atoms
        self.transformation = Complete.cast(transformation)