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Searched refs:makeHydrogensExplicit (Results 1 – 5 of 5) sorted by relevance

/dports/science/opsin/dan2097-opsin-9b25f7546b67/opsin-core/src/test/java/uk/ac/cam/ch/wwmm/opsin/
H A DSMILESWriterTest.java26 fm.makeHydrogensExplicit(); in testRoundTrip1()
34 fm.makeHydrogensExplicit(); in testRoundTrip2()
42 fm.makeHydrogensExplicit(); in testRoundTrip3()
50 fm.makeHydrogensExplicit(); in testRoundTrip4()
58 fm.makeHydrogensExplicit(); in testRoundTrip5()
66 fm.makeHydrogensExplicit(); in testRoundTrip6()
74 fm.makeHydrogensExplicit(); in testRoundTrip7()
82 fm.makeHydrogensExplicit(); in testRoundTrip8()
90 fm.makeHydrogensExplicit(); in testRoundTrip9()
98 fm.makeHydrogensExplicit(); in testRoundTrip10()
[all …]
H A DStereochemistryTest.java397 fm.makeHydrogensExplicit(); in testCIPpriority9()
419 fm.makeHydrogensExplicit(); in testCIPpriority10()
441 fm.makeHydrogensExplicit(); in testCIPpriority11()
529 fm.makeHydrogensExplicit(); in testCIPpriority12()
551 fm.makeHydrogensExplicit(); in testCIPpriority13()
594 fm.makeHydrogensExplicit(); in testCIPpriority15()
712 fm.makeHydrogensExplicit(); in testFindPseudoAsymmetricCarbon1()
731 fm.makeHydrogensExplicit(); in testFindPseudoAsymmetricCarbon2()
H A DVerifyFragmentsTest.java89 fm.makeHydrogensExplicit(); in verifySmilesInTokenList()
/dports/science/opsin/dan2097-opsin-9b25f7546b67/opsin-core/src/main/java/uk/ac/cam/ch/wwmm/opsin/
H A DFragmentManager.java682 void makeHydrogensExplicit() throws StructureBuildingException { in makeHydrogensExplicit() method in FragmentManager
H A DStructureBuilder.java64 state.fragManager.makeHydrogensExplicit(); in buildFragment()