From: <eg...@us...> - 2007-07-06 11:55:41
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Revision: 8521 http://svn.sourceforge.net/cdk/?rev=8521&view=rev Author: egonw Date: 2007-07-06 04:55:40 -0700 (Fri, 06 Jul 2007) Log Message: ----------- Updated entry for Arsenic which is trivalent so maxBondOrderSum should be 3 (copied from r8439) Modified Paths: -------------- trunk/cdk/src/org/openscience/cdk/config/data/valency_atomtypes.xml Modified: trunk/cdk/src/org/openscience/cdk/config/data/valency_atomtypes.xml =================================================================== --- trunk/cdk/src/org/openscience/cdk/config/data/valency_atomtypes.xml 2007-07-06 11:02:58 UTC (rev 8520) +++ trunk/cdk/src/org/openscience/cdk/config/data/valency_atomtypes.xml 2007-07-06 11:55:40 UTC (rev 8521) @@ -242,10 +242,10 @@ <scalar dataType="xsd:double" dictRef="cdk:bondOrderSum">1.0</scalar> </atom> </atomType> - <atomType id="As"> + <atomType id="As3"> <atom elementType="As" formalCharge="0"> <scalar dataType="xsd:double" dictRef="cdk:maxBondOrder">1.0</scalar> - <scalar dataType="xsd:double" dictRef="cdk:bondOrderSum">1.0</scalar> + <scalar dataType="xsd:double" dictRef="cdk:bondOrderSum">3.0</scalar> </atom> </atomType> <atomType id="AsPlus"> This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |