Author: bugman Date: Wed Dec 10 14:12:18 2014 New Revision: 27055 URL: http://svn.gna.org/viewcvs/relax?rev=27055&view=rev Log: Some more fixes for the Structure.test_align_molecules system test. Modified: trunk/test_suite/system_tests/structure.py Modified: trunk/test_suite/system_tests/structure.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/structure.py?rev=27055&r1=27054&r2=27055&view=diff ============================================================================== --- trunk/test_suite/system_tests/structure.py (original) +++ trunk/test_suite/system_tests/structure.py Wed Dec 10 14:12:18 2014 @@ -213,14 +213,14 @@ # Translate and rotate the models. R = zeros((3, 3), float64) axis_angle_to_R(array([1, 0, 0], float64), 1.0, R) - self.interpreter.structure.rotate(R=R, model=1, atom_id='#1') + self.interpreter.structure.rotate(R=R, atom_id='#1') axis_angle_to_R(array([0, 0, 1], float64), 2.0, R) - self.interpreter.structure.rotate(R=R, model=2, atom_id='#2') - self.interpreter.structure.translate(T=[1., 1., 1.], model=1, atom_id='#1') - self.interpreter.structure.translate(T=[0., 0., 1.], model=2, atom_id='#2') + self.interpreter.structure.rotate(R=R, atom_id='#2') + self.interpreter.structure.translate(T=[1., 1., 1.], atom_id='#1') + self.interpreter.structure.translate(T=[0., 0., 1.], atom_id='#2') # The alignment. - #self.interpreter.structure.align(pipes=['ref', 'align'], molecules=['ref', '1', '2'], method='fit to first', atom_id='@N,H') + self.interpreter.structure.align(pipes=['ref', 'align'], molecules=['ref', '1', '2'], method='fit to first', atom_id='@N,H') # Output PDB to stdout to help in debugging. self.interpreter.structure.write_pdb(file=sys.stdout)