@TestClass(value="org.openscience.cdk.formula.MolecularFormulaRangeManipulatorTest") public class MolecularFormulaRangeManipulator extends Object
Constructor and Description |
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MolecularFormulaRangeManipulator() |
Modifier and Type | Method and Description |
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static IMolecularFormula |
getMaximalFormula(MolecularFormulaRange mfRange,
IChemObjectBuilder builder)
Returns the maximal occurrence of the IIsotope into IMolecularFormula
from this MolelecularFormulaRange.
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static IMolecularFormula |
getMinimalFormula(MolecularFormulaRange mfRange,
IChemObjectBuilder builder)
Returns the minimal occurrence of the IIsotope into IMolecularFormula
from this MolelecularFormulaRange.
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static MolecularFormulaRange |
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.
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@TestMethod(value="testGetRange_IMolecularFormulaSet") public static MolecularFormulaRange getRange(IMolecularFormulaSet mfSet)
mfSet
- The set of molecularFormules to inspect@TestMethod(value="testGetMaximalFormula_MolecularFormulaRange_IChemObjectBuilder") public static IMolecularFormula getMaximalFormula(MolecularFormulaRange mfRange, IChemObjectBuilder builder)
mfRange
- The MolecularFormulaRange to analyze@TestMethod(value="testGetMinimalFormula_MolecularFormulaRange_IChemObjectBuilder") public static IMolecularFormula getMinimalFormula(MolecularFormulaRange mfRange, IChemObjectBuilder builder)
mfRange
- The MolecularFormulaRange to analyze