Hi, I have applied the patch, but there are too many unrelated changes grouped together. So unfortunately I cannot apply it. I can see that there are three new functions in the internal structural reader:
__parse_models_xyz() __parse_mols_xyz() load_xyz() This could go in one patch, but they should be described. There is also a lot of debugging print outs, it would be useful to mention this. Then there is the new class MolContainer_xyz. This is not needed as MolContainer is a generic class with a few PDB specific methods. These specific methods could have '_pdb' added to the end, and then these are duplicated and changed to *_xyz(). But I would put these as a separate patch. The original MolContainer should be preserved as this defines the internal structure object. Then generic_fns/structure/main.py has a single empty line removed, so this can be a single patch. And the modification to the file test_suite/shared_data/structures/Indol_test.xyz should be in a separate patch, with a commit message explaining this change. Finally, the test_read_xyz_internal1() system test has been modified for the new SSS-cluster4-new-test.xyz file. I would suggest that this is done differently. The current test can be duplicated and called test_read_xyz_internal2(). The first test if for the Indol_test.xyz file, the second is for the multi-model SSS-cluster4-new-test.xyz file. Cheers, Edward On 16 June 2011 11:33, Han Sun <[email protected]> wrote: > > Follow-up Comment #9, task #7404 (project relax): > > Generating new user function 'load_xyz()'. > This is Han's patch https://gna.org/task/download.php?file_id=13226 attached > to the task > http://gna.org/task/?7404. > The user function 'load_xyz()' was generated and modified in the > generic_fns/structure/internal.py based on the function 'load_pdb()'. > > > _______________________________________________________ > > Reply to this item at: > > <http://gna.org/task/?7404> > > _______________________________________________ > Message sent via/by Gna! > http://gna.org/ > > > _______________________________________________ > 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 > _______________________________________________ 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
