[OpenBabel-Updates] SF.net SVN: openbabel:[4324] openbabel/trunk/src/ops/opisomorph.cpp

[<chr...@us...>]

Revision: 4324
          http://openbabel.svn.sourceforge.net/openbabel/?rev=4324&view=rev
Author:   chrismorl
Date:     2010-11-28 11:29:53 +0000 (Sun, 28 Nov 2010)

Log Message:
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In the -s option, add an automatic call to AddHydrogens() on the molecule if #1 is detected in SMARTS. This fixes an issue raised by Fredrik Wallner on the OpenBabel-Discuss mailing list. '[H]' is already detected in OBSmartsPattern::SMARTSParser, but extending to #1 caused problems with atom typing. Rather than dig around in the pre-history, it is safer, although less general, to do the mod in the -s option. 

Modified Paths:
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    openbabel/trunk/src/ops/opisomorph.cpp


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