bugGChemPaint - Bugs: bug #24802, Double bonds get shifted if...

 
 

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bug #24802: Double bonds get shifted if macrocycle is closed

Submitted by:  Lee Garrett <randalll>
Submitted on:  Mon 10 Nov 2008 04:04:57 PM UTC  
 
Category: NoneSeverity: 3 - Normal
Item Group: NoneStatus: Fixed
Privacy: PublicAssigned to: Jean Bréfort <jean_brefort>
Open/Closed: Closed

Sat 15 Nov 2008 09:58:08 AM UTC, comment #5:

Closed after 0.10.1 release

Jean Bréfort <jean_brefort>
Project AdministratorIn charge of this item.
Mon 10 Nov 2008 09:20:25 PM UTC, comment #4:

This patch also fixes the crash. I'm using Debian too. 0.10 should be packaged for unstable shortly after lenny release, hopefully.

(file #16821)

Jean Bréfort <jean_brefort>
Project AdministratorIn charge of this item.
Mon 10 Nov 2008 08:52:56 PM UTC, comment #3:

I had the idea that it had something to do with the bigger cycle, too :)

A patch for 0.8 would be nice, as 0.10.x isn't packaged in most distributions yet (in my case Debian).

Thank you for the swift reply and for this fix!

Lee Garrett <randalll>
Mon 10 Nov 2008 07:32:27 PM UTC, comment #2:

The bonds were attributed to two cycles (the macrocycle and the aromatic ring). As both paths are of the same length (3 on each side), each branch could end included in the macrocyle which is trans for the affected bonds. Attached patch is for the 0.10 branch. If a patch is needed for 0.8 too, please tell me.
Marking this bug as fixed even if the crash is not fixed, but that's another story.

(file #16818)

Jean Bréfort <jean_brefort>
Project AdministratorIn charge of this item.
Mon 10 Nov 2008 05:42:17 PM UTC, comment #1:

Interesting case. I see some bonds out of place when using gchempaint-0.10.x, and also two other issues (H atoms in a smaller font than other atoms) and, much worse, a crash after e few undo/redos.
I'll investigate all these issues as soon as possible.

If you are using 0.8.7, can you attach a screenshot of the result?

Jean Bréfort <jean_brefort>
Project AdministratorIn charge of this item.
Mon 10 Nov 2008 04:04:57 PM UTC, original submission:

Hello there,

I've got a problem with an macrocycle: As soon as I close the attached macrocycle, all aromatic rings get weird shifts in their double bonds.

Just see the attached .gchempaint file and close the last bond in the macrocycle.

Hope it helps to understand the bug.

Kind regards,
Lee

P.S: Thank you for this great program!

Lee Garrett <randalll>

 

Attached Files
file #16821:  gchempaint-0.8.patch added by jean_brefort (3KiB - text/x-patch - patch for gchempaint-0.8)
file #16818:  24802.patch added by jean_brefort (1KiB - text/x-patch - Fixes the double bond issue.)
file #16817:  bug_in_gchempaint.gchempaint added by randalll (11KiB - application/x-gchempaint)

 

Depends on the following items: None found

Items that depend on this one: None found

 

Carbon-Copy List
  • -unavailable- added by jean_brefort (Posted a comment)
  • -unavailable- added by randalll (Submitted the item)
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    Follow 7 latest changes.

    Date Changed By Updated Field Previous Value => Replaced By
    Sat 15 Nov 2008 09:58:08 AM UTCjean_brefortOpen/ClosedOpen=>Closed
    Mon 10 Nov 2008 09:20:25 PM UTCjean_brefortAttached File-=>Added gchempaint-0.8.patch, #16821
    Mon 10 Nov 2008 07:32:27 PM UTCjean_brefortAttached File-=>Added 24802.patch, #16818
      StatusConfirmed=>Fixed
    Mon 10 Nov 2008 05:42:17 PM UTCjean_brefortStatusNone=>Confirmed
      Assigned toNone=>jean_brefort
    Mon 10 Nov 2008 04:04:57 PM UTCrandalllAttached File-=>Added bug_in_gchempaint.gchempaint, #16817

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