def testTransformation(self):
atoms = UBI.ca
coords = UBI.getCoords()
matrix = eye(4)
moveAtoms(atoms, by=matrix, ag=True)
assert_equal(UBI._getCoords(), coords)
def testByArgument(self):
atoms = UBI
offset = ones(3) * 10.
coords = atoms.getCoords()
moveAtoms(atoms, by=offset)
assert_equal(atoms._getCoords(), coords + offset)
def testTransformation(self):
atoms = UBI.ca
coords = UBI.getCoords()
matrix = eye(4)
moveAtoms(atoms, by=matrix, ag=True)
assert_equal(UBI._getCoords(), coords)
def testByArgument(self):
atoms = UBI
offset = ones(3) * 10.
coords = atoms.getCoords()
moveAtoms(atoms, by=offset)
assert_equal(atoms._getCoords(), coords + offset)
def testToArgument(self):
atoms = UBI.ca
coords = UBI.getCoords()
center = atoms._getCoords().mean(0)
moveAtoms(atoms, to=zeros(3), ag=True)
assert_equal(UBI._getCoords(), coords - center)
def testToArgument(self):
atoms = UBI.ca
coords = UBI.getCoords()
center = atoms._getCoords().mean(0)
moveAtoms(atoms, to=zeros(3), ag=True)
assert_equal(UBI._getCoords(), coords - center)