Gnome Chemistry Utils - Bugs: bug #26736, valence enforcement can't be...
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bug #26736: valence enforcement can't be turned off
Submitter: | avery <gardenofavery> | ||
Submitted: | Wed 03 Jun 2009 04:09:49 AM UTC | ||
Category: | None | Severity: | 3 - Normal |
Item Group: | None | Status: | Confirmed |
Privacy: | Public | Assigned to: | jean_brefort |
Open/Closed: | Open |
Sun 07 Jun 2009 06:47:13 PM UTC, comment #3: |
Jean Bréfort <jean_brefort> |
Sun 07 Jun 2009 06:05:31 PM UTC, comment #2: Changing the max_bonds of an element in /usr/share/gchemutils/elements.xml (database/elements.xml.in) seems to allow you to exceed valence for the most part. |
avery <gardenofavery> |
Wed 03 Jun 2009 11:26:05 AM UTC, comment #1: For diborane (and other boranes), the plan is to implement 3c-2e bonds in the future. Using normal bonds exceeding maximum valence would lead to severe breakages of the API which would be very difficult to fix.
|
Jean Bréfort <jean_brefort> |
Wed 03 Jun 2009 04:09:49 AM UTC, original submission:
Enforcement of typical valence for atoms cannot be overridden. Typically organic molecules strictly obey valence rules, but a large number to not. i.e. the molecule B2H6 cannot be drawn with gchempaint. |
avery <gardenofavery> |
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Date | Changed by | Updated Field | Previous Value | => | Replaced by |
---|---|---|---|---|---|
2009-06-03 | jean_brefort | Status | None | Confirmed | |
Assigned to | None | jean_brefort |
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Corresponding source code
of course you can do that, but only if you do not exchange files with others.