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Public Types | Public Member Functions

org::openscience::cdk::interfaces::IAtomType Interface Reference

Inheritance diagram for org::openscience::cdk::interfaces::IAtomType:
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List of all members.

Public Types

enum  Hybridization {
  S, SP1, SP2, SP3,
  PLANAR3, SP3D1, SP3D2, SP3D3,
  SP3D4, SP3D5
}

Public Member Functions

void addListener (IChemObjectListener col)
Object clone () throws CloneNotSupportedException
Integer getAtomicNumber ()
String getAtomTypeName ()
Double getBondOrderSum ()
IChemObjectBuilder getBuilder ()
Double getCovalentRadius ()
Double getExactMass ()
boolean getFlag (int flag_type)
boolean[] getFlags ()
Integer getFormalCharge ()
Integer getFormalNeighbourCount ()
Hybridization getHybridization ()
String getID ()
int getListenerCount ()
Integer getMassNumber ()
IBond.Order getMaxBondOrder ()
Double getNaturalAbundance ()
boolean getNotification ()
Map< Object, Object > getProperties ()
Object getProperty (Object description)
String getSymbol ()
Integer getValency ()
void notifyChanged ()
void notifyChanged (IChemObjectChangeEvent evt)
void removeListener (IChemObjectListener col)
void removeProperty (Object description)
void setAtomicNumber (Integer atomicNumber)
void setAtomTypeName (String identifier)
void setBondOrderSum (Double bondOrderSum)
void setCovalentRadius (Double radius)
void setExactMass (Double exactMass)
void setFlag (int flag_type, boolean flag_value)
void setFlags (boolean[] flagsNew)
void setFormalCharge (Integer charge)
void setFormalNeighbourCount (Integer count)
void setHybridization (Hybridization hybridization)
void setID (String identifier)
void setMassNumber (Integer massNumber)
void setMaxBondOrder (IBond.Order maxBondOrder)
void setNaturalAbundance (Double naturalAbundance)
void setNotification (boolean bool)
void setProperties (Map< Object, Object > properties)
void setProperty (Object description, Object property)
void setSymbol (String symbol)
void setValency (Integer valency)
String toString ()

Detailed Description

The base class for atom types. Atom types are typically used to describe the behaviour of an atom of a particular element in different environment like sp3 hybridized carbon C3, etc., in some molecular modelling applications.

.module interfaces .githash

Author:
egonw .created 2005-08-24

.keyword atom, type

Definition at line 37 of file IAtomType.java.


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

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