def test_translate(self):
atom1 = Atom(2, 'C', '', 'A', 'ALA', x=2., y=2., z=2.)
atom2 = Atom(2, 'C', '', 'A', 'ALA', x=0., y=0., z=0.)
residue = Residue('ALA', 1, [atom1, atom2])
chains = [Chain('A', [residue])]
protein = Complex(chains)
com = protein.center_of_mass()
protein.translate([c * -1 for c in com])
expected_coordinates = np.array([[1, 1, 1], [-1, -1, -1]])
assert (expected_coordinates == protein.atom_coordinates).all()
def test_translate(self):
atom1 = Atom(2, 'C', '', 'A', 'ALA', x=2., y=2., z=2.)
atom2 = Atom(2, 'C', '', 'A', 'ALA', x=0., y=0., z=0.)
residue = Residue('ALA',1, [atom1, atom2])
chains = [Chain('A',[residue])]
protein = Complex(chains)
com = protein.center_of_mass()
protein.translate([c*-1 for c in com])
expected_coordinates = np.array([[1,1,1],[-1,-1,-1]])
assert (expected_coordinates == protein.atom_coordinates).all()
def test_center_of_mass(self):
protein = Complex(chains=self.chains)
com = protein.center_of_mass()
assert_almost_equals(1.8037228011238935, com[0])
assert_almost_equals(1.7998854581864723, com[1])
assert_almost_equals(1.7960481152490517, com[2])
def test_center_of_mass_empty_complex(self):
protein = Complex([])
com = protein.center_of_mass()
assert_almost_equals(0., com[0])
assert_almost_equals(0., com[1])
assert_almost_equals(0., com[2])
def test_center_of_mass_empty_complex(self):
protein = Complex([])
com = protein.center_of_mass()
assert_almost_equals(0., com[0])
assert_almost_equals(0., com[1])
assert_almost_equals(0., com[2])
def test_center_of_mass(self):
protein = Complex(chains=self.chains)
com = protein.center_of_mass()
assert_almost_equals(1.8037228011238935, com[0])
assert_almost_equals(1.7998854581864723, com[1])
assert_almost_equals(1.7960481152490517, com[2])