def find_permutation(self, X1, X2): """find the rotation which minimizes the distance between the structures""" ca1 = self.topology.coords_adapter(X1) ca2 = self.topology.coords_adapter(X2) return find_best_permutation(ca1.posRigid, ca2.posRigid, permlist=self.permlist)
def find_permutation(self, X1, X2): return find_best_permutation(X1, X2, self.permlist, box_lengths=self.boxlengths)
def find_permutation(self, X1, X2): ca1 = self.topology.coords_adapter(X1) ca2 = self.topology.coords_adapter(X2) return find_best_permutation(ca1.posRigid, ca2.posRigid)