Uses of Interface
org.openscience.cdk.interfaces.IMolecularFormulaSet

Packages that use IMolecularFormulaSet

Package	Description
org.openscience.cdk.debug
org.openscience.cdk.formula
org.openscience.cdk.interfaces
org.openscience.cdk.silent
org.openscience.cdk.tools.manipulator

Uses of IMolecularFormulaSet in org.openscience.cdk.debug

Classes in org.openscience.cdk.debug that implement IMolecularFormulaSet

Modifier and Type	Class	Description
class	DebugAdductFormula	Debugging implementation of IAdductFormula.
class	DebugMolecularFormulaSet	Debugging implementation of IMolecularFormulaSet.

Methods in org.openscience.cdk.debug with parameters of type IMolecularFormulaSet

Modifier and Type	Method	Description
void	DebugAdductFormula.add(IMolecularFormulaSet formulaSet)	Adds all molecularFormulas in the AdductFormula to this chemObject.
void	DebugMolecularFormulaSet.add(IMolecularFormulaSet formulaSet)	Adds all molecularFormulas in the MolecularFormulaSet to this chemObject.

Uses of IMolecularFormulaSet in org.openscience.cdk.formula

Classes in org.openscience.cdk.formula that implement IMolecularFormulaSet

Modifier and Type	Class	Description
class	AdductFormula	Class defining an adduct object in a MolecularFormula.
class	MolecularFormulaSet	Class defining an set object of MolecularFormulas.

Methods in org.openscience.cdk.formula that return IMolecularFormulaSet

Modifier and Type	Method	Description
IMolecularFormulaSet	MassToFormulaTool.generate(double mass)	Deprecated. Method that actually does the work of extracting the molecular formula.
IMolecularFormulaSet	MolecularFormulaGenerator.getAllFormulas()	Generates a IMolecularFormulaSet by repeatedly calling MolecularFormulaGenerator.getNextFormula() until all possible formulas are generated.

Methods in org.openscience.cdk.formula with parameters of type IMolecularFormulaSet

Modifier and Type	Method	Description
void	AdductFormula.add(IMolecularFormulaSet formulaSet)	Adds all molecularFormulas in the AdductFormula to this chemObject.
void	MolecularFormulaSet.add(IMolecularFormulaSet formulaSet)	Adds all molecularFormulas in the MolecularFormulaSet to this chemObject.

Uses of IMolecularFormulaSet in org.openscience.cdk.interfaces

Subinterfaces of IMolecularFormulaSet in org.openscience.cdk.interfaces

Modifier and Type	Interface	Description
interface	IAdductFormula	Class defining an adduct object in a MolecularFormula.

Methods in org.openscience.cdk.interfaces with parameters of type IMolecularFormulaSet

Modifier and Type	Method	Description
void	IMolecularFormulaSet.add(IMolecularFormulaSet formulaSet)	Adds all molecularFormulas in the MolecularFormulaSet to this chemObject.

Uses of IMolecularFormulaSet in org.openscience.cdk.silent

Classes in org.openscience.cdk.silent that implement IMolecularFormulaSet

Modifier and Type	Class	Description
class	AdductFormula	Class defining an adduct object in a MolecularFormula.
class	MolecularFormulaSet	Class defining an set object of MolecularFormulas.

Methods in org.openscience.cdk.silent with parameters of type IMolecularFormulaSet

Modifier and Type	Method	Description
void	AdductFormula.add(IMolecularFormulaSet formulaSet)	Adds all molecularFormulas in the AdductFormula to this chemObject.
void	MolecularFormulaSet.add(IMolecularFormulaSet formulaSet)	Adds all molecularFormulas in the MolecularFormulaSet to this chemObject.

Uses of IMolecularFormulaSet in org.openscience.cdk.tools.manipulator

Methods in org.openscience.cdk.tools.manipulator that return IMolecularFormulaSet

Modifier and Type	Method	Description
static IMolecularFormulaSet	MolecularFormulaSetManipulator.remove(IMolecularFormulaSet formulaSet, MolecularFormulaRange formulaRange)	Remove all those IMolecularFormula which are not fit theirs IElement occurrence into a limits.
static IMolecularFormulaSet	MolecularFormulaSetManipulator.remove(IMolecularFormulaSet formulaSet, IMolecularFormula formulaMin, IMolecularFormula formulaMax)	Remove all those IMolecularFormula which are not fit theirs IElement occurrence into a limits.

Methods in org.openscience.cdk.tools.manipulator with parameters of type IMolecularFormulaSet

Modifier and Type	Method	Description
static boolean	MolecularFormulaSetManipulator.contains(IMolecularFormulaSet formulaSet, IMolecularFormula formula)	True, if the IMolecularFormulaSet contains the given IMolecularFormula but not as object.
static IMolecularFormula	MolecularFormulaSetManipulator.getMaxOccurrenceElements(IMolecularFormulaSet mfSet)	Extract from a set of MolecularFormula the maximum occurrence of each element found and put the element and occurrence in a new IMolecularFormula.
static IMolecularFormula	MolecularFormulaSetManipulator.getMinOccurrenceElements(IMolecularFormulaSet mfSet)	Extract from a set of MolecularFormula the minimal occurrence of each element found and put the element and occurrence in a new IMolecularFormula.
static MolecularFormulaRange	MolecularFormulaRangeManipulator.getRange(IMolecularFormulaSet mfSet)	Extract from a set of MolecularFormula the range of each each element found and put the element and occurrence in a new MolecularFormulaRange.
static IMolecularFormulaSet	MolecularFormulaSetManipulator.remove(IMolecularFormulaSet formulaSet, MolecularFormulaRange formulaRange)	Remove all those IMolecularFormula which are not fit theirs IElement occurrence into a limits.
static IMolecularFormulaSet	MolecularFormulaSetManipulator.remove(IMolecularFormulaSet formulaSet, IMolecularFormula formulaMin, IMolecularFormula formulaMax)	Remove all those IMolecularFormula which are not fit theirs IElement occurrence into a limits.