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, <[email protected]> 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 > [email protected] > > 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 > _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list [email protected] 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-devel
