Hi, That sounds good. Would you be able to make the change?
Cheers, Edward On 11 August 2011 14:42, Han Sun <[email protected]> wrote: > Hi Edward, > > I checked out the copy and I think the problem can be very easily fixed. > > The reason for this failure is because the system test code of > 'test_read_xyz_internal2' is old. In this old test it assumes that the > vector is not a unit vector, which is however not identical with the default > setting in the 'extract_vector' function. So to solve this problem you just > need to replace the following code for extracting a vector in the > 'test_read_xyz_internal2': > > # Extract a vector between first two spins. > self.interpreter.structure.vectors(attached='@10', spin_id='@2') > self.assertAlmostEqual(a.bond_vect[0], -0.4102707) > self.assertAlmostEqual(a.bond_vect[1], 0.62128879) > self.assertAlmostEqual(a.bond_vect[2], -0.6675913) > > Best wishes, > Han > > On Aug 11, 2011, at 11:30 AM, Edward d'Auvergne wrote: > >> Hi Han, >> >> I have now merged your xyz branch into the main 1.3 line. There was >> only one conflict in this process, and it was easy enough to fix. I >> have now run the test suite, and noticed that the >> test_read_xyz_internal2 system test fails. This can be quickly >> checked with: >> >> $ ./relax -s Structure.test_read_xyz_internal2 >> >> I think I remember seeing this problem before, but I thought that it >> was solved in the xyz branch. Could you check the 1.3 line and see if >> all your code is in there? Or check what could be the source of this >> problem? I would like to release a new version of relax soon with >> this code (along with a series of bug fixes) prior to releasing a new >> version with Gary Thompson's multiprocessor code, and then a version >> with the new GUI code (hopefully all by the end of next week). >> >> Cheers, >> >> Edward > > _______________________________________________ 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
