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org::openscience::cdk::isomorphism::matchers::smarts::RingMembershipAtom Class Reference

Inheritance diagram for org::openscience::cdk::isomorphism::matchers::smarts::RingMembershipAtom:

org::openscience::cdk::isomorphism::matchers::smarts::SMARTSAtom org::openscience::cdk::PseudoAtom org::openscience::cdk::isomorphism::matchers::IQueryAtom org::openscience::cdk::Atom org::openscience::cdk::interfaces::IPseudoAtom org::openscience::cdk::interfaces::IAtom org::openscience::cdk::AtomType org::openscience::cdk::interfaces::IAtom org::openscience::cdk::interfaces::IAtom org::openscience::cdk::interfaces::IAtomType org::openscience::cdk::Isotope org::openscience::cdk::interfaces::IAtomType org::openscience::cdk::interfaces::IAtomType org::openscience::cdk::interfaces::IAtomType org::openscience::cdk::interfaces::IIsotope org::openscience::cdk::Element org::openscience::cdk::interfaces::IIsotope org::openscience::cdk::interfaces::IIsotope org::openscience::cdk::interfaces::IIsotope org::openscience::cdk::interfaces::IIsotope org::openscience::cdk::interfaces::IElement org::openscience::cdk::ChemObject org::openscience::cdk::interfaces::IElement org::openscience::cdk::interfaces::IElement org::openscience::cdk::interfaces::IElement org::openscience::cdk::interfaces::IElement org::openscience::cdk::interfaces::IElement org::openscience::cdk::interfaces::IChemObject org::openscience::cdk::interfaces::IChemObject org::openscience::cdk::interfaces::IChemObject org::openscience::cdk::interfaces::IChemObject org::openscience::cdk::interfaces::IChemObject org::openscience::cdk::interfaces::IChemObject org::openscience::cdk::interfaces::IChemObject

List of all members.


Detailed Description

This query atom matches any atom with a certain number of SSSR.

Author:
Dazhi Jiao .created 2007-04-24 .module smarts .keyword SMARTS AST

Definition at line 34 of file RingMembershipAtom.java.


Public Member Functions

void addListener (IChemObjectListener col)
Object clone () throws CloneNotSupportedException
boolean compare (Object object)
int getAtomicNumber ()
String getAtomTypeName ()
double getBondOrderSum ()
IChemObjectBuilder getBuilder ()
double getCharge ()
double getCovalentRadius ()
double getExactMass ()
boolean getFlag (int flag_type)
boolean[] getFlags ()
int getFormalCharge ()
int getFormalNeighbourCount ()
javax.vecmath.Point3d getFractionalPoint3d ()
int getHybridization ()
int getHydrogenCount ()
String getID ()
String getLabel ()
int getListenerCount ()
int getMassNumber ()
double getMaxBondOrder ()
double getNaturalAbundance ()
boolean getNotification ()
javax.vecmath.Point2d getPoint2d ()
javax.vecmath.Point3d getPoint3d ()
Hashtable getProperties ()
Object getProperty (Object description)
int getStereoParity ()
String getSymbol ()
int getValency ()
double getVanderwaalsRadius ()
boolean matches (IAtom atom)
void notifyChanged (IChemObjectChangeEvent evt)
void notifyChanged ()
void removeListener (IChemObjectListener col)
void removeProperty (Object description)
 RingMembershipAtom (int num)
void setAtomicNumber (int atomicNumber)
void setAtomTypeName (String identifier)
void setBondOrderSum (double bondOrderSum)
void setCharge (double charge)
void setCovalentRadius (double radius)
void setExactMass (double mass)
void setFlag (int flag_type, boolean flag_value)
void setFlags (boolean[] flagsNew)
void setFormalCharge (int charge)
void setFormalNeighbourCount (int count)
void setFractionalPoint3d (Point3d point3d)
void setFractionalPoint3d (javax.vecmath.Point3d point3d)
void setHybridization (int hybridization)
void setHydrogenCount (int hydrogenCount)
void setID (String identifier)
void setLabel (String label)
void setMassNumber (int massNumber)
void setMaxBondOrder (double maxBondOrder)
void setNaturalAbundance (double naturalAbundance)
void setNotification (boolean bool)
void setOperator (String str)
void setPoint2d (Point2d point2d)
void setPoint2d (javax.vecmath.Point2d point2d)
void setPoint3d (Point3d point3d)
void setPoint3d (javax.vecmath.Point3d point3d)
void setProperties (Hashtable properties)
void setProperty (Object description, Object property)
void setStereoParity (int stereoParity)
void setSymbol (String symbol)
void setValency (int valency)
void setVanderwaalsRadius (double radius)
Object shallowCopy ()
String toString ()

Public Attributes

double exactMass = (double) -1
String ID
double naturalAbundance = (double) -1

Static Public Attributes

static final int Default = 56562

Protected Attributes

int atomicNumber = 0
double charge = 0.0
int electronValency
int formalCharge
int formalNeighbourCount
javax.vecmath.Point3d fractionalPoint3d
int hybridization
int hydrogenCount
javax.vecmath.Point2d point2d
javax.vecmath.Point3d point3d
int stereoParity
String symbol

Package Attributes

double bondOrderSum
double covalentRadius
double maxBondOrder
double vanderwaalsRadius

Private Attributes

int numSSSR

Static Private Attributes

static final long serialVersionUID = -7963168231557641862L

The documentation for this class was generated from the following file:

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