Package | Description |
---|---|
ambit2.groupcontribution.nmr |
Modifier and Type | Method and Description |
---|---|
void |
HNMRShifts.calcAlkeneHShifts(HAtomEnvironmentInstance haeInst,
int atIndex) |
HShift |
HNMRShifts.calcHShift(HAtomEnvironmentInstance haeInst) |
boolean |
HNMRShifts.checkSubstituentMapping(List<org.openscience.cdk.interfaces.IAtom> map,
HAtomEnvironmentInstance haeInst,
int substPosAtIndex,
int distance) |
void |
HNMRShifts.findSubstituents(HAtomEnvironmentInstance haeInst) |
void |
HNMRShifts.registerHAtomEnvironmentInstance(HAtomEnvironmentInstance haeInst) |
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