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SmartsHits are always POSITIVE results.
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olas committed Jun 30, 2010
1 parent 2f4fc94 commit cb39ed1
Showing 1 changed file with 1 addition and 1 deletion.
Expand Up @@ -249,7 +249,7 @@ protected List<? extends ITestResult> doRunTest( ICDKMolecule cdkmol,
SmartsMatch match=new SmartsMatch(
smartsName, ITestResult.POSITIVE);
for (int aindex : matchingAtoms){
match.putAtomResult( aindex, 100 );
match.putAtomResult( aindex, ITestResult.POSITIVE );
}
match.setSmartsString( currentSmarts );

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