public class MolecularFormulaSetManipulator extends Object
IMolecularFormula molecularFormula = MolecularManipulatorSet.getMaxOccurrenceElements(molecularFormulaSet);.
Constructor and Description |
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MolecularFormulaSetManipulator() |
Modifier and Type | Method and Description |
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static boolean |
contains(IMolecularFormulaSet formulaSet,
IMolecularFormula formula)
True, if the IMolecularFormulaSet contains the given IMolecularFormula but not
as object.
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static IMolecularFormula |
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.
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static IMolecularFormula |
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.
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static IMolecularFormulaSet |
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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static IMolecularFormulaSet |
remove(IMolecularFormulaSet formulaSet,
MolecularFormulaRange formulaRange)
Remove all those IMolecularFormula which are not fit theirs IElement
occurrence into a limits.
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public static IMolecularFormula getMaxOccurrenceElements(IMolecularFormulaSet mfSet)
mfSet
- The set of molecularFormules to inspectgetMinOccurrenceElements(IMolecularFormulaSet)
public static IMolecularFormula getMinOccurrenceElements(IMolecularFormulaSet mfSet)
mfSet
- The set of molecularFormules to inspectgetMaxOccurrenceElements(IMolecularFormulaSet)
public static IMolecularFormulaSet remove(IMolecularFormulaSet formulaSet, IMolecularFormula formulaMin, IMolecularFormula formulaMax)
formulaSet
- IMolecularFormulaSet to look forformulaMax
- A IMolecularFormula which contains the maximal representation of the ElementsformulaMin
- A IMolecularFormula which contains the minimal representation of the Elementspublic static boolean contains(IMolecularFormulaSet formulaSet, IMolecularFormula formula)
formulaSet
- The IMolecularFormulaSetformula
- The IMolecularFormula this IMolecularFormulaSet is searched forIMolecularFormulaSet.contains(IMolecularFormula)
public static IMolecularFormulaSet remove(IMolecularFormulaSet formulaSet, MolecularFormulaRange formulaRange)
formulaSet
- IMolecularFormulaSet to look forformulaRange
- A IMolecularFormulaRange which contains the range representation of the IIsotopeCopyright © 2018. All Rights Reserved.