Package org.openscience.cdk.atomtype
Interface IAtomTypeGuesser
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- All Known Implementing Classes:
StructGenAtomTypeGuesser
public interface IAtomTypeGuesser
Classes that implement this interface are atom type guessers. As compared to the IAtomTypeMatcher, this guesser has room for missing information. Not uncommonly, one bit of information is missing.- Author:
- egonw
- See Also:
IAtomTypeMatcher
- Source code:
- main
- Belongs to CDK module:
- core
- Created on:
- 2006-09-22
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Method Summary
All Methods Instance Methods Abstract Methods Modifier and Type Method Description List<IAtomType>
possibleAtomTypes(IAtomContainer container, IAtom atom)
Method that returns an iterator with a suitable list of atom types given the provided atom.
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Method Detail
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possibleAtomTypes
List<IAtomType> possibleAtomTypes(IAtomContainer container, IAtom atom) throws CDKException
Method that returns an iterator with a suitable list of atom types given the provided atom.- Parameters:
container
- AtomContainer of which theatom
is partatom
- Atom for which a matching atom type is searched- Returns:
- The matching AtomTypes
- Throws:
CDKException
- when something went wrong with going through the AtomType's
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