Exemplo n.º 1
0
 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)
Exemplo n.º 2
0
 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)
Exemplo n.º 3
0
 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)