def test_reorder1(self): atom = Atoms(['C', 'Au']) atom = atom.sub(1) atom = atom.reorder() assert_true(atom[0] == Atom['Au']) assert_true(len(atom) == 1) assert_true(len(atom.atom) == 2)
def test_reduce1(self): atom = Atoms(['C', 'Au']) atom = atom.sub(0) atom = atom.reduce() assert_true(atom[0] == Atom[6]) assert_true(len(atom) == 1) assert_true(len(atom.atom) == 1)
def test_reduce1(): atom = Atoms(['C', 'Au']) atom = atom.sub(0) atom1 = atom.reduce() assert atom[0] == Atom[6] assert len(atom) == 1 assert len(atom.atom) == 2 assert atom1[0] == Atom[6] assert atom1[0] != Atom[8] assert len(atom1) == 1 assert len(atom1.atom) == 1 atom.reduce(True) assert atom[0] == Atom[6] assert len(atom) == 1 assert len(atom.atom) == 1
def test_reorder1(): atom = Atoms(['C', 'Au']) atom = atom.sub(1) atom1 = atom.reorder() # Check we haven't done anything to the original Atoms object assert atom[0] == Atom['Au'] assert atom.specie[0] == 1 assert len(atom) == 1 assert len(atom.atom) == 2 assert atom1[0] == Atom['Au'] assert atom1.specie[0] == 0 assert len(atom1) == 1 assert len(atom1.atom) == 2 # Do in-place atom.reorder(True) assert atom[0] == Atom['Au'] assert atom.specie[0] == 0 assert len(atom) == 1 assert len(atom.atom) == 2