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/
>>>>
>>>>
>>
>>
>
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