Hi, The patch is applied and committed. I modified the commit message by added blank lines between the sections.
Regards, Edward On 17 June 2011 11:18, Han Sun <[email protected]> wrote: > Hi, > > a new patch containing only change with the xyz file is now uploaded. > > Best, > Han > > On Jun 17, 2011, at 10:59 AM, Edward d'Auvergne wrote: > >> Hi, >> >> I tried to apply the patch >> https://gna.org/task/download.php?file_id=13244, but it failed with: >> >> [edward@localhost xyz]$ patch -p0 < patch >> patching file generic_fns/structure/main.py >> Reversed (or previously applied) patch detected! Assume -R? [n] >> >> Looking at the patch, the previous commit has been reverted: >> >> [edward@localhost xyz]$ cat patch >> Index: generic_fns/structure/main.py >> =================================================================== >> --- generic_fns/structure/main.py (revision 13065) >> +++ generic_fns/structure/main.py (working copy) >> @@ -416,7 +416,6 @@ >> else: >> warn(RelaxNoPDBFileWarning(file_path)) >> return >> - >> >> # Place the structural object into the relax data store. >> if not hasattr(cdp, 'structure'): >> Index: test_suite/shared_data/structures/Indol_test.xyz >> =================================================================== >> --- test_suite/shared_data/structures/Indol_test.xyz (revision 13065) >> +++ test_suite/shared_data/structures/Indol_test.xyz (working copy) >> @@ -1,5 +1,5 @@ >> 16 >> -1-Indolizinyl 0.000000 >> +1-Indolizinyl >> C 0.0784 1.9475 -0.3681 >> H -0.3810 2.9138 -0.3681 >> C 1.4607 1.6737 -0.3682 >> [edward@localhost xyz]$ >> >> Could you remake the patch without the change to >> generic_fns/structure/main.py? >> >> Cheers, >> >> Edward >> >> >> >> On 17 June 2011 10:56, Edward d'Auvergne <[email protected]> wrote: >>> >>> Cheers, I'll add this to the commit message. >>> >>> Regards, >>> >>> Edward >>> >>> >>> On 17 June 2011 10:53, Han Sun <[email protected]> wrote: >>>> >>>> Hi, >>>> >>>> because this was a mistake generated by me. In a normal xyz file the >>>> second >>>> line is just the molecule name. But for reading the xyz file actually it >>>> does not matter whether it has this 0.00000 or not. But I think since >>>> this >>>> is a test xyz file it would be good to remove it so that it looks like a >>>> normal xyz file. >>>> >>>> Best, >>>> Han >>>> >>>> On Jun 17, 2011, at 10:47 AM, Edward d'Auvergne wrote: >>>> >>>>> Hi, >>>>> >>>>> Would you be able to explain why the 0.00000 was removed? >>>>> >>>>> Cheers, >>>>> >>>>> Edward >>>>> >>>>> >>>>> >>>>> On 17 June 2011 10:41, Han Sun <[email protected]> >>>>> wrote: >>>>>> >>>>>> Follow-up Comment #12, task #7404 (project relax): >>>>>> >>>>>> Modifying test_suite/shared_data/structures/Indol_test.xyz >>>>>> This is Han's patch https://gna.org/task/download.php?file_id=13244 >>>>>> attached >>>>>> to the task >>>>>> http://gna.org/task/?7404. >>>>>> In the test_suite/shared_data/structures/Indol_test.xyz 0.00000 after >>>>>> the >>>>>> molecule name was removed. >>>>>> >>>>>> _______________________________________________________ >>>>>> >>>>>> 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
