def __eq__(self, other):
if not isinstance(other, MinRmsdFeature):
return False
eq = super(MinRmsdFeature, self).__eq__(other)
return (eq and cmp_traj(self.ref, other.ref)
and self.ref_frame == other.ref_frame
and np.all(self.atom_indices == other.atom_indices)
and self.precentered == other.precentered)
def __eq__(self, other):
eq = super(GroupCOMFeature, self).__eq__(other)
if not eq or not isinstance(other, GroupCOMFeature):
return False
return (cmp_traj(self.ref_geom, other.ref_geom)
and self.image_molecules == other.image_molecules and all(
np.array_equal(g1, g2) for g1, g2 in zip(
self.group_definitions, other.group_definitions))
and all(
np.array_equal(m1, m2) for m1, m2 in zip(
self.masses_in_groups, other.masses_in_groups)))
def __eq__(self, other):
if not isinstance(other, AlignFeature):
return False
return (cmp_traj(self.ref, other.ref)
and np.all(self.atom_indices == other.atom_indices)
and self.in_place == other.in_place)