toxTree.query
Class CHQueryAtom

java.lang.Object
  extended by org.openscience.cdk.ChemObject
      extended by org.openscience.cdk.Element
          extended by org.openscience.cdk.Isotope
              extended by org.openscience.cdk.AtomType
                  extended by org.openscience.cdk.Atom
                      extended by org.openscience.cdk.isomorphism.matchers.SymbolQueryAtom
                          extended by toxTree.query.CHQueryAtom
All Implemented Interfaces:
java.io.Serializable, java.lang.Cloneable, org.openscience.cdk.interfaces.IAtom, org.openscience.cdk.interfaces.IAtomType, org.openscience.cdk.interfaces.ICDKObject, org.openscience.cdk.interfaces.IChemObject, org.openscience.cdk.interfaces.IElement, org.openscience.cdk.interfaces.IIsotope, org.openscience.cdk.isomorphism.matchers.IQueryAtom
Direct Known Subclasses:
AliphaticCHQueryAtom

public class CHQueryAtom
extends org.openscience.cdk.isomorphism.matchers.SymbolQueryAtom

This is to match a hydrocarbon atom in subgraph query Molecule should be preprocessed with FunctionalGroups.markCHn(), otherwise results will not be correct

Author:
Nina Jeliazkova Modified 2005-8-20
See Also:
Serialized Form

Nested Class Summary
 
Nested classes/interfaces inherited from interface org.openscience.cdk.interfaces.IAtomType
org.openscience.cdk.interfaces.IAtomType.Hybridization
 
Field Summary
protected static java.lang.String[] marks
           
 
Fields inherited from class org.openscience.cdk.Atom
charge, fractionalPoint3d, hydrogenCount, point2d, point3d, stereoParity
 
Fields inherited from class org.openscience.cdk.AtomType
electronValency, formalCharge, formalNeighbourCount, hybridization
 
Fields inherited from class org.openscience.cdk.Isotope
exactMass, naturalAbundance
 
Fields inherited from class org.openscience.cdk.Element
atomicNumber, symbol
 
Constructor Summary
CHQueryAtom()
           
CHQueryAtom(org.openscience.cdk.interfaces.IAtom atom)
           
 
Method Summary
 boolean matches(org.openscience.cdk.interfaces.IAtom atom)
           
 
Methods inherited from class org.openscience.cdk.isomorphism.matchers.SymbolQueryAtom
setHCount, setOperator, toString
 
Methods inherited from class org.openscience.cdk.Atom
clone, compare, getCharge, getFractionalPoint3d, getImplicitHydrogenCount, getPoint2d, getPoint3d, getStereoParity, setCharge, setFractionalPoint3d, setImplicitHydrogenCount, setPoint2d, setPoint3d, setStereoParity
 
Methods inherited from class org.openscience.cdk.AtomType
getAtomTypeName, getBondOrderSum, getCovalentRadius, getFormalCharge, getFormalNeighbourCount, getHybridization, getMaxBondOrder, getValency, setAtomTypeName, setBondOrderSum, setCovalentRadius, setFormalCharge, setFormalNeighbourCount, setHybridization, setMaxBondOrder, setValency
 
Methods inherited from class org.openscience.cdk.Isotope
getExactMass, getMassNumber, getNaturalAbundance, setExactMass, setMassNumber, setNaturalAbundance
 
Methods inherited from class org.openscience.cdk.Element
getAtomicNumber, getSymbol, setAtomicNumber, setSymbol
 
Methods inherited from class org.openscience.cdk.ChemObject
addListener, getBuilder, getFlag, getFlags, getID, getListenerCount, getNotification, getProperties, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty, shallowCopy
 
Methods inherited from class java.lang.Object
equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait
 
Methods inherited from interface org.openscience.cdk.interfaces.IAtom
getCharge, getFractionalPoint3d, getImplicitHydrogenCount, getPoint2d, getPoint3d, getStereoParity, setCharge, setFractionalPoint3d, setImplicitHydrogenCount, setPoint2d, setPoint3d, setStereoParity
 
Methods inherited from interface org.openscience.cdk.interfaces.IAtomType
getAtomTypeName, getBondOrderSum, getCovalentRadius, getFormalCharge, getFormalNeighbourCount, getHybridization, getMaxBondOrder, getValency, setAtomTypeName, setBondOrderSum, setCovalentRadius, setFormalCharge, setFormalNeighbourCount, setHybridization, setMaxBondOrder, setValency
 
Methods inherited from interface org.openscience.cdk.interfaces.IIsotope
getExactMass, getMassNumber, getNaturalAbundance, setExactMass, setMassNumber, setNaturalAbundance
 
Methods inherited from interface org.openscience.cdk.interfaces.IElement
getAtomicNumber, getSymbol, setAtomicNumber, setSymbol
 
Methods inherited from interface org.openscience.cdk.interfaces.IChemObject
addListener, clone, getFlag, getFlags, getID, getListenerCount, getNotification, getProperties, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty
 
Methods inherited from interface org.openscience.cdk.interfaces.ICDKObject
getBuilder
 

Field Detail

marks

protected static java.lang.String[] marks
Constructor Detail

CHQueryAtom

public CHQueryAtom()

CHQueryAtom

public CHQueryAtom(org.openscience.cdk.interfaces.IAtom atom)
Parameters:
atom -
Method Detail

matches

public boolean matches(org.openscience.cdk.interfaces.IAtom atom)
Specified by:
matches in interface org.openscience.cdk.isomorphism.matchers.IQueryAtom
Overrides:
matches in class org.openscience.cdk.isomorphism.matchers.SymbolQueryAtom


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