static void |
Fragmentation.calcAtomFragments(Fragmentation fragmentation,
DataSetObject dso,
Map<org.openscience.cdk.interfaces.IAtom,int[]> atomLocDescr,
GroupContributionModel gcm) |
static void |
Fragmentation.calcBondFragments(Fragmentation fragmentation,
DataSetObject dso,
Map<org.openscience.cdk.interfaces.IAtom,int[]> atomLocDescr,
GroupContributionModel gcm) |
static void |
Fragmentation.calcDGroupFragments(Fragmentation fragmentation,
DataSetObject dso,
Map<org.openscience.cdk.interfaces.IAtom,int[]> atomLocDescr,
GroupContributionModel gcm) |
static void |
Fragmentation.calcGGroupFragments(Fragmentation fragmentation,
DataSetObject dso,
Map<org.openscience.cdk.interfaces.IAtom,int[]> atomLocDescr,
GroupContributionModel gcm) |
static void |
Fragmentation.calcLGroupFragments(Fragmentation fragmentation,
DataSetObject dso,
Map<org.openscience.cdk.interfaces.IAtom,int[]> atomLocDescr,
GroupContributionModel gcm) |