Searched refs:totalAbudance (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cdk/cdk-cdk-2.3/tool/formula/src/test/java/org/openscience/cdk/tools/manipulator/ |
| H A D | MolecularFormulaManipulatorTest.java | 467 double totalAbudance = MolecularFormulaManipulator.getTotalNaturalAbundance(formula); in testGetTotalNaturalAbundance_IMolecularFormula() local
469 Assert.assertEquals(0.74969154, totalAbudance, 0.000001); in testGetTotalNaturalAbundance_IMolecularFormula()
487 double totalAbudance = MolecularFormulaManipulator.getTotalNaturalAbundance(formula1); in testGetTotalNaturalAbundance_IMolecularFormula2() local
488 Assert.assertEquals(0.24995235, totalAbudance, 0.000001); in testGetTotalNaturalAbundance_IMolecularFormula2()
502 double totalAbudance = MolecularFormulaManipulator.getTotalNaturalAbundance(formula2); in testGetTotalNaturalAbundance_IMolecularFormula3() local
504 Assert.assertEquals(0.25694761, totalAbudance, 0.000001); in testGetTotalNaturalAbundance_IMolecularFormula3()
516 double totalAbudance = MolecularFormulaManipulator.getTotalNaturalAbundance(formula2); in testGetTotalNaturalAbundance_IMolecularFormula4() local
518 Assert.assertEquals(0.25694761, totalAbudance, 0.000001); in testGetTotalNaturalAbundance_IMolecularFormula4()
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| /dports/science/cdk/cdk-cdk-2.3/base/test-standard/src/test/java/org/openscience/cdk/tools/manipulator/ |
| H A D | AtomContainerManipulatorTest.java | 637 double totalAbudance = AtomContainerManipulator.getTotalNaturalAbundance(mol); in testGetTotalNaturalAbundance_IAtomContainer() local
639 Assert.assertEquals(0.749432, totalAbudance, 0.000001); in testGetTotalNaturalAbundance_IAtomContainer()
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