Class StructGenAtomTypeGuesser

java.lang.Object
org.openscience.cdk.atomtype.StructGenAtomTypeGuesser
All Implemented Interfaces:
IAtomTypeGuesser

public class StructGenAtomTypeGuesser extends Object implements IAtomTypeGuesser
AtomTypeMatcher that finds an AtomType by matching the Atom's element symbol. This atom type matcher takes into account formal charge and number of implicit hydrogens, and requires bond orders to be given.

This class uses the cdk/config/data/structgen_atomtypes.xml list. If there is not an atom type defined for the tested atom, then null is returned.

Author:
egonw
Source code:
main
Belongs to CDK module:
structgen
Created on:
2006-09-22
  • Constructor Details

    • StructGenAtomTypeGuesser

      public StructGenAtomTypeGuesser()
      Constructor for the StructGenMatcher object.
  • Method Details