Uses of Interface
org.openscience.cdk.interfaces.IMolecularFormulaSet
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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 -
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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 ofIAdductFormula
.class
DebugMolecularFormulaSet
Debugging implementation ofIMolecularFormulaSet
.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 aIMolecularFormulaSet
by repeatedly callingMolecularFormulaGenerator.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.
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