Package org.openscience.cdk.interfaces

Interface IMolecularFormulaSet

All Superinterfaces:
Cloneable, ICDKObject
All Known Subinterfaces:
IAdductFormula
All Known Implementing Classes:
AdductFormula, AdductFormula, DebugAdductFormula, DebugMolecularFormulaSet, MolecularFormulaSet, MolecularFormulaSet
public interface IMolecularFormulaSet extends ICDKObject
Class defining a molecular formula object. It maintains a list of list IMoleculaFormula.

Examples:

  • [C5H5]-
  • C6H6
  • 12C513CH6
Author:
miguelrojasch
Source code:
main
Belongs to CDK module:
interfaces
Keywords:
molecular formula
Created on:
2007-11-20

  • Method Details

    • add

      void add(IMolecularFormulaSet formulaSet)
      Adds all molecularFormulas in the MolecularFormulaSet to this chemObject.
      Parameters:
      formulaSet - The MolecularFormulaSet

    • addMolecularFormula

      void addMolecularFormula(IMolecularFormula formula)
      Adds an IMolecularFormula to this chemObject.
      Parameters:
      formula - The IMolecularFormula to be added to this chemObject

    • getMolecularFormula

      IMolecularFormula getMolecularFormula(int position)
      Returns the IMolecularFormula at position number in the chemObject.
      Parameters:
      position - The position of the MolecularFormula to be returned.
      Returns:
      The IMolecularFormula at position number .

    • molecularFormulas

      Iterable<IMolecularFormula> molecularFormulas()
      Returns the array of IMolecularFormula of this chemObject.
      Returns:
      The array of IMolecularFormulas of this chemObject
      See Also:

    • size

      int size()
      Returns the number of MolecularFormulas in this IMolecularFormulaSet.
      Returns:
      The number of MolecularFormulas in this IMolecularFormulaSet

    • contains

      boolean contains(IMolecularFormula formula)
      True, if the IMolecularFormulaSet contains the given IMolecularFormula object.
      Parameters:
      formula - The IMolecularFormula this IMolecularFormulaSet is searched for
      Returns:
      True, if the IMolecularFormulaSet contains the given formula object

    • removeMolecularFormula

      void removeMolecularFormula(IMolecularFormula formula)
      Removes the given IMolecularFormula from the IMolecularFormulaSet.
      Parameters:
      formula - The IMolecularFormula to be removed

    • removeMolecularFormula

      void removeMolecularFormula(int position)
      Removes the IMolecularFormula at the given position from the IMolecularFormulaSet.
      Parameters:
      position - The position of the IMolecularFormula to be removed.

    • removeAllMolecularFormulas

      void removeAllMolecularFormulas()
      Removes all IMolecularFormula of this IMolecularFormulaSet.

    • clone

      Object clone() throws CloneNotSupportedException
      Clones this IMolecularFormulaSet object and its content.
      Returns:
      The cloned object
      Throws:
      CloneNotSupportedException