Mon 06 Feb 2017 05:26:42 PM UTC, comment #13:
all right, works OK now on a fresh source tree.
Thank you!
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Mon 06 Feb 2017 12:35:27 PM UTC, comment #12:
Oops, the patch contained twice the changes, my bad.
(file #39679)
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Mon 06 Feb 2017 11:36:00 AM UTC, comment #11:
Actually, I used a fresh download of 0.14.16 (gnome-chemistry-utils-0.14.16.tar.bz2) and only applied 50190-1.patch.
Then patches were correctly reported for several files (more than for the previous patch, i.e. 50190.patch) and, during the same run, then the messages appeared.
I can try tonight with another installation that has the first patch (50190.patch) already applied.
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Mon 06 Feb 2017 10:50:58 AM UTC, comment #10:
You probably applied both patches, the second one includes the first, that's why patch finds some parts have already been applied.
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Mon 06 Feb 2017 10:29:26 AM UTC, comment #9:
Thank you, the second patch helps with the exo bond issue.
When using patch 50190-1.patch, however, it seems that the patch wants to go through all the changes twice.
Upon
patch -p0 < 50190-1.patch
in the main directory, after going through a couple of succcessful patches, I get several messages like
patching file libs/gcp/bond.cc
Reversed (or previously applied) patch detected! Assume -R? [n]
answering no every time helps, but I guess this is not what is intended.
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Mon 06 Feb 2017 09:48:43 AM UTC, comment #8:
This new patch also contains the previous changes, and also fixes the exo bonds issue.
I need to investigate a strange file type issue before a new release.
(file #39678)
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Thu 02 Feb 2017 04:34:33 PM UTC, comment #7:
sorry, my fault -- I used the patch command in the wrong way.
Your suggested command works fine, after recompiling, the substituents are shown correctly. Thanks.
The crossing exo bonds are still bad.
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Thu 02 Feb 2017 10:01:39 AM UTC, comment #6:
The patch should change both files. In the gchemutils root directory just use:
patch -p0 < 50190.patch
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Thu 02 Feb 2017 09:55:42 AM UTC, comment #5:
maybe I did this wrong - is it indeed a patch for cdxml.cc and NOT for cdx.cc?
In the first lines of the patch file, only cdx.cc is mentioned.
Do I need to apply this to cdxml.cc?
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Thu 02 Feb 2017 09:04:01 AM UTC, comment #4:
Very strange, the patch for cdxml.cc is applied to cdx.cc and, of course, it fails. I tested on a fresh repository and things work for me.
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Wed 01 Feb 2017 07:46:57 PM UTC, comment #3:
thanks for the patch - however, when I try to use it,
I get:
loaders/cdx> /usr/bin/patch -i ~/Downloads/GChemPaint/50190.patch cdx.cc
patching file cdx.cc
patching file cdx.cc
Hunk #1 FAILED at 194.
Hunk #2 FAILED at 506.
Hunk #3 FAILED at 783.
Hunk #4 FAILED at 794.
Hunk #5 FAILED at 813.
Hunk #6 FAILED at 824.
Hunk #7 FAILED at 1283.
Hunk #8 FAILED at 1332.
8 out of 8 hunks FAILED -- saving rejects to file cdx.cc.rej
What's going wrong?
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Tue 31 Jan 2017 10:00:16 PM UTC, comment #2:
yes, indeed the two exo bonds are incorrect.
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Tue 31 Jan 2017 08:41:24 AM UTC, comment #1:
Thanks for the samples. I see another issue, the exo bonds are behind the main cycle, which is just impossible (and not what is seen in the png image). The string issue should be somewhat easy to fix (but not today), but no idea about the bonds issue.
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Mon 30 Jan 2017 09:56:00 PM UTC, original submission:
Hi,
I am using GChemPaint either version 0.14.14 and 0.14.16 and found a case of a cdx drawing where in both versions part of the graphics is not shown.
I attach a png file that shows how the result should look like, and the cdx as well as the cdxml files that cause the error:
the cdx file does not show the substituent R', while the cdxml file does not show R' but also it does not show substituent R three times.
I'd be happy to test any improvements of the code. Thanks.
Best regards
Bernd
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