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, AtomRef, 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:
main
Belongs to CDK module:
interfaces
Keywords:
isotope, mass number, number, mass
Created on:
2005-08-24
  • Method Details

    • setNaturalAbundance

      void setNaturalAbundance(Double naturalAbundance)
      Sets the NaturalAbundance attribute of the Isotope object.
      Parameters:
      naturalAbundance - The new NaturalAbundance value
      See Also:
    • setExactMass

      void setExactMass(Double exactMass)
      Sets the ExactMass attribute of the Isotope object.
      Parameters:
      exactMass - The new ExactMass value
      See Also:
    • getNaturalAbundance

      Double getNaturalAbundance()
      Gets the NaturalAbundance attribute of the Isotope object. Returns null when unconfigured.
      Returns:
      The NaturalAbundance value
      See Also:
    • getExactMass

      Double getExactMass()
      Gets the ExactMass attribute of the Isotope object. Returns null when unconfigured.
      Returns:
      The ExactMass value
      See Also:
    • getMassNumber

      Integer getMassNumber()
      Returns the atomic mass of this element. Returns null when unconfigured.
      Returns:
      The atomic mass of this element
      See Also:
    • 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: