class TransformTest(ut.TestCase):
def setUp(self):
atoms = [
Atom(name='N9', x=3.0, y=3.0, z=3.0),
Atom(name='C4', x=2.0, y=2.0, z=2.0),
Atom(name='N3', x=1.0, y=1.0, z=1.0),
]
self.residue = Component(atoms, type='rna', pdb='1GID', model=1,
chain='A', sequence='C', number=50,
symmetry='6_555')
def test_can_transform_atoms(self):
trans = np.array([[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 97.240],
[0.0, 0.0, -1.0, 0.0],
[0.0, 0.0, 0.0, 1.0]])
residue = self.residue.transform(trans)
val = list(list(residue.atoms())[-1].coordinates())
ans = [1.0, 96.240, -1.0]
self.assertEquals(ans, val)
def test_preserves_unit_id(self):
trans = np.array([[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 97.240],
[0.0, 0.0, -1.0, 0.0],
[0.0, 0.0, 0.0, 1.0]])
residue = self.residue.transform(trans)
val = residue.unit_id()
ans = "1GID|1|A|C|50||||6_555"
self.assertEquals(ans, val)
