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):
"""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):
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)
