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Searched refs:getIDFromLocant (Results 1 – 3 of 3) sorted by relevance

/dports/science/opsin/dan2097-opsin-9b25f7546b67/opsin-core/src/test/java/uk/ac/cam/ch/wwmm/opsin/
H A DFragmentTest.java103 assertEquals("Locant a has ID 10", 10, frag.getIDFromLocant("a")); in testGetIDFromLocant()
185 int idN = frag.getIDFromLocant("N"); in testRelabelSuffixLocants()
186 int idNprime = frag.getIDFromLocant("N'"); in testRelabelSuffixLocants()
305 int idN = frag.getIDFromLocant("N"); in testLabelCarbonicDihydrazide()
306 int idNprime = frag.getIDFromLocant("N'"); in testLabelCarbonicDihydrazide()
307 int idNprime2 = frag.getIDFromLocant("N''"); in testLabelCarbonicDihydrazide()
308 int idNprime3 = frag.getIDFromLocant("N'''"); in testLabelCarbonicDihydrazide()
327 int idO = frag.getIDFromLocant("O"); in testLabelSulfonoThioate()
328 int idOprime = frag.getIDFromLocant("O'"); in testLabelSulfonoThioate()
362 int idN = frag.getIDFromLocant("N"); in testLabelPiperazine()
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H A DFragmentManagerTest.java36 assertEquals("Locant 1 = atom 1", 1, naphthalene.getIDFromLocant("1")); in testRelabelFusedRingSystem()
37 assertEquals("Locant 4a = atom 5", 5, naphthalene.getIDFromLocant("4a")); in testRelabelFusedRingSystem()
38 assertEquals("Locant 8 = atom 9", 9, naphthalene.getIDFromLocant("8")); in testRelabelFusedRingSystem()
39 assertEquals("Locant 8a = atom 10", 10, naphthalene.getIDFromLocant("8a")); in testRelabelFusedRingSystem()
40 assertEquals("No locant 9", 0, naphthalene.getIDFromLocant("9")); in testRelabelFusedRingSystem()
/dports/science/opsin/dan2097-opsin-9b25f7546b67/opsin-core/src/main/java/uk/ac/cam/ch/wwmm/opsin/
H A DFragment.java131 int getIDFromLocant(String locant) { in getIDFromLocant() method in Fragment
146 int id = getIDFromLocant(locant); in getIDFromLocantOrThrow()