public interface IAtomTypeMatcher
IAtomTypeGuesser
Modifier and Type | Method and Description |
---|---|
IAtomType[] |
findMatchingAtomType(IAtomContainer container)
Method that assigns atom types to atoms in the given atom container.
|
IAtomType |
findMatchingAtomType(IAtomContainer container,
IAtom atom)
Method that assigns an atom type to a given atom belonging to an atom
container.
|
IAtomType findMatchingAtomType(IAtomContainer container, IAtom atom) throws CDKException
container
- AtomContainer of which the atom
is partatom
- Atom for which a matching atom type is searchedCDKException
- when something went wrong with going through
the AtomType'sIAtomType[] findMatchingAtomType(IAtomContainer container) throws CDKException
container
- AtomContainer for which atom types are perceivedCDKException
- when something went wrong with going through
the AtomType's