Beispiel #1
0
 def UpdateInternals(self):
     """Update current values of internal degrees of freedom."""
     topology.UpdateBonds(self.bonds, self.atoms, self.bond_graph)
     topology.UpdateAngles(self.angles, self.atoms, self.bond_graph)
     topology.UpdateTorsions(self.torsions, self.atoms, self.bond_graph)
     topology.UpdateOutofplanes(self.outofplanes, self.atoms,
                                self.bond_graph)
Beispiel #2
0
 def UpdateInternals(self):
     """Update current values of internal degrees of freedom."""
     topology.UpdateBonds(self)
     topology.UpdateAngles(self)
     topology.UpdateTorsions(self)
     topology.UpdateOutofplanes(self)