def value(self): if self.units.genre is AngularUnit: return self.value_for_positions( *[a.pos for a in self.atoms]) * Radians.to(self.units) else: return self.value_for_positions( *[a.pos for a in self.atoms]) * self.molecule.cartesian_units.to( self.units)
def value_for_molecule(self, mol): if self.units.genre is AngularUnit: return self.value_for_molecule_matrix(mol.xyz) * Radians.to(self.units) else: return self.value_for_molecule_matrix(mol.xyz)
def value_for_molecule(self, mol): if self.units.genre is AngularUnit: return self.value_for_molecule_matrix(mol.xyz) * Radians.to( self.units) else: return self.value_for_molecule_matrix(mol.xyz)
def value(self): if self.units.genre is AngularUnit: return self.value_for_positions(*[a.pos for a in self.atoms]) * Radians.to(self.units) else: return self.value_for_positions(*[a.pos for a in self.atoms]) * self.molecule.cartesian_units.to(self.units)