Uses of Class
org.openscience.cdk.formula.MolecularFormulaRange
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Packages that use MolecularFormulaRange Package Description org.openscience.cdk.formula org.openscience.cdk.tools.manipulator -
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Uses of MolecularFormulaRange in org.openscience.cdk.formula
Methods in org.openscience.cdk.formula with parameters of type MolecularFormulaRange Modifier and Type Method Description protected void
MolecularFormulaGenerator. checkInputParameters(IChemObjectBuilder builder, double minMass, double maxMass, MolecularFormulaRange mfRange)
Checks if input parameters are valid and throws an IllegalArgumentException otherwise.Constructors in org.openscience.cdk.formula with parameters of type MolecularFormulaRange Constructor Description MolecularFormulaGenerator(IChemObjectBuilder builder, double minMass, double maxMass, MolecularFormulaRange mfRange)
Initiate the MolecularFormulaGenerator. -
Uses of MolecularFormulaRange in org.openscience.cdk.tools.manipulator
Methods in org.openscience.cdk.tools.manipulator that return MolecularFormulaRange Modifier and Type Method Description 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.Methods in org.openscience.cdk.tools.manipulator with parameters of type MolecularFormulaRange Modifier and Type Method Description static IMolecularFormula
MolecularFormulaRangeManipulator. getMaximalFormula(MolecularFormulaRange mfRange, IChemObjectBuilder builder)
Returns the maximal occurrence of the IIsotope into IMolecularFormula from this MolelecularFormulaRange.static IMolecularFormula
MolecularFormulaRangeManipulator. getMinimalFormula(MolecularFormulaRange mfRange, IChemObjectBuilder builder)
Returns the minimal occurrence of the IIsotope into IMolecularFormula from this MolelecularFormulaRange.static IMolecularFormulaSet
MolecularFormulaSetManipulator. remove(IMolecularFormulaSet formulaSet, MolecularFormulaRange formulaRange)
Remove all those IMolecularFormula which are not fit theirs IElement occurrence into a limits.
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