Hi, For something small like this, it shouldn't be a problem. It's only touching a function which is specific to your XYZ file reading code, affects no other parts of relax, and is only in the test suite. So in this situation, it should be ok. If you are interested in making bigger changes, even in the future, then the relax developers can have a private vote to accept you as a relax developer with full access privileges. Apart from your mistake with svnmerge, your coding skills are quite high. What do you think?
Regards, Edward On 11 August 2011 15:06, Han Sun <[email protected]> wrote: > Hi Edward, > > You mean I should change the 1.3 line? Do I have the authority to do it? > > Best > Han > > > On Aug 11, 2011, at 3:01 PM, Edward d'Auvergne wrote: > >> 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
