Hi Han, You have to be careful when committing that only the change you want goes in. I make that mistake from time to time too. Good that you picked it up though. Regards, Edward On 27 June 2011 15:21, <hasu@xxxxxxxxxxxxxxxxx> wrote:
Author: han87 Date: Mon Jun 27 15:21:31 2011 New Revision: 13239 URL: http://svn.gna.org/viewcvs/relax?rev=13239&view=rev Log: Adding code for checking the atomic positions in the system test test_read_xyz_internal2() Code for checking the atomic position (x, y and z) of the last spin was added in the system test test_read_xyz_internal2(). Modified: branches/xyz/test_suite/system_tests/structure.py Modified: branches/xyz/test_suite/system_tests/structure.py URL: http://svn.gna.org/viewcvs/relax/branches/xyz/test_suite/system_tests/structure.py?rev=13239&r1=13238&r2=13239&view=diff ============================================================================== --- branches/xyz/test_suite/system_tests/structure.py (original) +++ branches/xyz/test_suite/system_tests/structure.py Mon Jun 27 15:21:31 2011 @@ -665,6 +665,20 @@ self.interpreter.structure.load_spins('#SSS-cluster4-new-test_mol1@2') self.assertEqual(count_spins(), 1) + # Test the spin coordinates. + mol = cdp.structure.structural_data[0].mol[0] + last_spin_x=[] + last_spin_y=[] + last_spin_z=[] + for i in xrange(len(mol.atom_num)): + last_spin_x.append(mol.x[i]) + last_spin_y.append(mol.y[i]) + last_spin_z.append(mol.z[i]) + + self.assertEqual(last_spin_x[160], -9.947) + self.assertEqual(last_spin_y[160], -6.062) + self.assertEqual(last_spin_z[160], 11.682) + # Try loading a few protons. #self.interpreter.structure.load_spins('@H') _______________________________________________ relax (http://nmr-relax.com) This is the relax-commits mailing list relax-commits@xxxxxxx To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-commits