StructGenMatcher (cdk 2.10 API)

java.lang.Object
- org.openscience.cdk.atomtype.StructGenMatcher

All Implemented Interfaces:

IAtomTypeMatcher
```
public class StructGenMatcher
extends Object
implements IAtomTypeMatcher
```
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 Summary

Constructors
Constructor Description

StructGenMatcher()
Constructor for the StructGenMatcher object.

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`IAtomType`	`findMatchingAtomType(IAtomContainer atomContainer, IAtom atom)`	Finds the AtomType matching the Atom's element symbol, formal charge and hybridization state.
`IAtomType[]`	`findMatchingAtomTypes(IAtomContainer atomContainer)`	Method that assigns atom types to atoms in the given atom container.

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

- Constructor Detail
  - StructGenMatcher
```
public StructGenMatcher()
```
    Constructor for the StructGenMatcher object.
- Method Detail
  - findMatchingAtomTypes
```
public IAtomType[] findMatchingAtomTypes(IAtomContainer atomContainer)
                                  throws CDKException
```
    Description copied from interface: IAtomTypeMatcher
    
    Method that assigns atom types to atoms in the given atom container.
    
    Specified by:
    
    findMatchingAtomTypes in interface IAtomTypeMatcher
    
    Parameters:
    
    atomContainer - AtomContainer for which atom types are perceived
    
    Returns:
    
    The matching AtomType
    
    Throws:
    
    CDKException - when something went wrong with going through the AtomType's
  - findMatchingAtomType
```
public IAtomType findMatchingAtomType(IAtomContainer atomContainer,
                                      IAtom atom)
                               throws CDKException
```
    Finds the AtomType matching the Atom's element symbol, formal charge and hybridization state.
    
    Specified by:
    
    findMatchingAtomType in interface IAtomTypeMatcher
    
    Parameters:
    
    atomContainer - AtomContainer
    
    atom - the target atom
    
    Returns:
    
    the matching AtomType
    
    Throws:
    
    CDKException - Exception thrown if something goes wrong