protected static class CalculatorPlugin.HydrogenData extends Object
Constructor and Description |
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CalculatorPlugin.HydrogenData(MolAtom hydrogen,
int atomIndex,
int indexOfOriginalLigand,
int chiralityOfOriginalLigand) |
Modifier and Type | Method and Description |
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int |
getAtomIndex() |
int |
getBondFlags() |
int |
getChiralityOfOriginalLigand() |
MolAtom |
getHydrogen() |
int |
getIndexOfOriginalLigand() |
void |
setIndexOfOriginalLigand(int indexOfOriginalLigand) |
public CalculatorPlugin.HydrogenData(MolAtom hydrogen, int atomIndex, int indexOfOriginalLigand, int chiralityOfOriginalLigand)
public int getIndexOfOriginalLigand()
public void setIndexOfOriginalLigand(int indexOfOriginalLigand)
public MolAtom getHydrogen()
public int getChiralityOfOriginalLigand()
public int getAtomIndex()
public int getBondFlags()