org.openscience.cdk.interfaces

Interface IIsotope

All Superinterfaces:

Cloneable, ICDKObject, IChemObject, IElement

All Known Subinterfaces:

IAtom, IAtomType, IFragmentAtom, IPDBAtom, IPseudoAtom, IQueryAtom

All Known Implementing Classes:

AliphaticAtom, AliphaticSymbolAtom, AnyAtom, AromaticAtom, AromaticSymbolAtom, Atom, Atom, AtomicNumberAtom, AtomType, AtomType, ChiralityAtom, DebugAtom, DebugAtomType, DebugFragmentAtom, DebugIsotope, DebugPDBAtom, DebugPseudoAtom, EnzymeResidueLocator, ExplicitConnectionAtom, FormalChargeAtom, FragmentAtom, FragmentAtom, HybridizationNumberAtom, HydrogenAtom, ImplicitHCountAtom, InverseSymbolSetQueryAtom, Isotope, Isotope, LogicalOperatorAtom, MassAtom, NonCHHeavyAtom, PDBAtom, PDBAtom, PeriodicGroupNumberAtom, PharmacophoreAtom, PharmacophoreQueryAtom, PseudoAtom, PseudoAtom, QueryAtom, ReactionRoleQueryAtom, RecursiveSmartsAtom, RingIdentifierAtom, RingMembershipAtom, SmallestRingAtom, SMARTSAtom, SymbolAndChargeQueryAtom, SymbolChargeIDQueryAtom, SymbolQueryAtom, SymbolSetQueryAtom, TotalConnectionAtom, TotalHCountAtom, TotalRingConnectionAtom, TotalValencyAtom

public interface IIsotope
extends IElement

Used to store and retrieve data of a particular isotope.

Author:

egonw

Source code:

master

Belongs to CDK module:

interfaces

Keywords:

isotope, mass number, number, mass

Created on:

2005-08-24

Method Summary

Methods

Modifier and Type	Method and Description
Double	getExactMass() Gets the ExactMass attribute of the Isotope object.
Integer	getMassNumber() Returns the atomic mass of this element.
Double	getNaturalAbundance() Gets the NaturalAbundance attribute of the Isotope object.
void	setExactMass(Double exactMass) Sets the ExactMass attribute of the Isotope object.
void	setMassNumber(Integer massNumber) Sets the atomic mass of this element.
void	setNaturalAbundance(Double naturalAbundance) Sets the NaturalAbundance attribute of the Isotope object.

Methods inherited from interface org.openscience.cdk.interfaces.IElement

getAtomicNumber, getSymbol, setAtomicNumber, setSymbol

Methods inherited from interface org.openscience.cdk.interfaces.IChemObject

addListener, addProperties, clone, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty, toString

Methods inherited from interface org.openscience.cdk.interfaces.ICDKObject

getBuilder

Method Detail

setNaturalAbundance

void setNaturalAbundance(Double naturalAbundance)

Sets the NaturalAbundance attribute of the Isotope object.

Parameters:

naturalAbundance - The new NaturalAbundance value

See Also:

getNaturalAbundance()

setExactMass

void setExactMass(Double exactMass)

Sets the ExactMass attribute of the Isotope object.

Parameters:

exactMass - The new ExactMass value

See Also:

getExactMass()

getNaturalAbundance

Double getNaturalAbundance()

Gets the NaturalAbundance attribute of the Isotope object. Returns null when unconfigured.

Returns:

The NaturalAbundance value

See Also:

setNaturalAbundance(java.lang.Double)

getExactMass

Double getExactMass()

Gets the ExactMass attribute of the Isotope object. Returns null when unconfigured.

Returns:

The ExactMass value

See Also:

setExactMass(java.lang.Double)

getMassNumber

Integer getMassNumber()

Returns the atomic mass of this element. Returns null when unconfigured.

Returns:

The atomic mass of this element

See Also:

setMassNumber(Integer)

setMassNumber

void setMassNumber(Integer massNumber)

Sets the atomic mass of this element.

Parameters:

massNumber - The atomic mass to be assigned to this element

See Also:

getMassNumber()