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org::openscience::cdk::Isotope Class Reference

Inheritance diagram for org::openscience::cdk::Isotope:

org::openscience::cdk::Element org::openscience::cdk::interfaces::IIsotope org::openscience::cdk::ChemObject 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::AtomType org::openscience::cdk::debug::DebugIsotope org::openscience::cdk::nonotify::NNIsotope org::openscience::cdk::Atom org::openscience::cdk::debug::DebugAtomType org::openscience::cdk::nonotify::NNAtomType org::openscience::cdk::debug::DebugAtom org::openscience::cdk::isomorphism::matchers::SymbolAndChargeQueryAtom org::openscience::cdk::isomorphism::matchers::SymbolChargeIDQueryAtom org::openscience::cdk::isomorphism::matchers::SymbolQueryAtom org::openscience::cdk::nonotify::NNAtom org::openscience::cdk::protein::data::PDBAtom org::openscience::cdk::PseudoAtom org::openscience::cdk::debug::DebugPDBAtom org::openscience::cdk::nonotify::NNPDBAtom org::openscience::cdk::debug::DebugPseudoAtom org::openscience::cdk::EnzymeResidueLocator org::openscience::cdk::FragmentAtom org::openscience::cdk::isomorphism::matchers::InverseSymbolSetQueryAtom org::openscience::cdk::isomorphism::matchers::smarts::SMARTSAtom org::openscience::cdk::isomorphism::matchers::SymbolSetQueryAtom org::openscience::cdk::nonotify::NNPseudoAtom

List of all members.


Detailed Description

Used to store and retrieve data of a particular isotope. For example, an carbon 13 isotope can be created with:
   Isotope carbon = new Isotope("C", 13);
 

A full specification can be constructed with:

   // make deuterium
   Isotope carbon = new Isotope(1, "H", 2, 2.01410179, 100.0);
 

Once instantiated all field not filled by passing parameters to the constructured are null. Isotopes can be configured by using the IsotopeFactory.configure() method:

   Isotope isotope = new Isotope("C", 13);
   IsotopeFactory if = IsotopeFactory.getInstance(isotope.getBuilder());
   if.configure(isotope);
 

.module data

Author:
steinbeck .created 2001-08-21
.keyword isotope

Definition at line 65 of file Isotope.java.


Public Member Functions

void addListener (IChemObjectListener col)
Object clone () throws CloneNotSupportedException
boolean compare (Object object)
int getAtomicNumber ()
IChemObjectBuilder getBuilder ()
double getExactMass ()
boolean getFlag (int flag_type)
boolean[] getFlags ()
String getID ()
int getListenerCount ()
int getMassNumber ()
double getNaturalAbundance ()
boolean getNotification ()
Hashtable getProperties ()
Object getProperty (Object description)
String getSymbol ()
 Isotope (IElement element)
 Isotope (String elementSymbol, int massNumber)
 Isotope (int atomicNumber, String elementSymbol, double exactMass, double abundance)
 Isotope (int atomicNumber, String elementSymbol, int massNumber, double exactMass, double abundance)
 Isotope (String elementSymbol)
void notifyChanged (IChemObjectChangeEvent evt)
void notifyChanged ()
void removeListener (IChemObjectListener col)
void removeProperty (Object description)
void setAtomicNumber (int atomicNumber)
void setExactMass (double exactMass)
void setFlag (int flag_type, boolean flag_value)
void setFlags (boolean[] flagsNew)
void setID (String identifier)
void setMassNumber (int massNumber)
void setNaturalAbundance (double naturalAbundance)
void setNotification (boolean bool)
void setProperties (Hashtable properties)
void setProperty (Object description, Object property)
void setSymbol (String symbol)
Object shallowCopy ()
String toString ()

Public Attributes

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

Protected Attributes

int atomicNumber = 0
String symbol

Private Attributes

int massNumber = 0

Static Private Attributes

static final long serialVersionUID = 6389365978927575858L

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

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