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Searched refs:oxygenCount (Results 1 – 3 of 3) sorted by relevance

/dports/science/cdk/cdk-cdk-2.3/base/atomtype/src/main/java/org/openscience/cdk/atomtype/
H A DSybylAtomTypeMatcher.java156 int oxygenCount = 0; in isNitro() local
158 if ("O".equals(neighbor.getSymbol())) oxygenCount++; in isNitro()
159 return (oxygenCount == 2); in isNitro()
/dports/science/openbabel/openbabel-3.1.1/src/forcefields/
H A Dforcefieldmmff94.cpp1905 oxygenCount++; in GetType()
1979 oxygenCount++; in GetType()
2030 oxygenCount = 0; in GetType()
2034 oxygenCount++; in GetType()
2212 oxygenCount = 0; in GetType()
2312 oxygenCount++; in GetType()
2495 oxygenCount++; in GetType()
2502 if (oxygenCount == 2) { in GetType()
2565 oxygenCount = 0; in GetType()
2569 oxygenCount++; in GetType()
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/dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/atomtype/
H A DCDKAtomTypeMatcher.java666 int oxygenCount = 0; in isCarboxylate() local
672 oxygenCount++; in isCarboxylate()
682 …return (oxygenCount == 2) && (singleBondedNegativeOxygenCount == 1) && (doubleBondedOxygenCount ==… in isCarboxylate()