@Test public void testRelabelFusedRingSystem() throws StructureBuildingException { Fragment naphthalene = fragManager.buildSMILES("C1=CC=CC2=CC=CC=C12"); FragmentTools.relabelLocantsAsFusedRingSystem(naphthalene.getAtomList()); assertEquals("Locant 1 = atom 1", 1, naphthalene.getIDFromLocant("1")); assertEquals("Locant 4a = atom 5", 5, naphthalene.getIDFromLocant("4a")); assertEquals("Locant 8 = atom 9", 9, naphthalene.getIDFromLocant("8")); assertEquals("Locant 8a = atom 10", 10, naphthalene.getIDFromLocant("8a")); assertEquals("No locant 9", 0, naphthalene.getIDFromLocant("9")); }
Fragment buildSMILES(String smiles) throws StructureBuildingException { return buildSMILES(smiles, "", NONE_LABELS_VAL); }
FragmentManager { Fragment buildSMILES(String smiles) throws StructureBuildingException { return buildSMILES(smiles, "", NONE_LABELS_VAL); } }
FragmentManager { Fragment buildSMILES(String smiles) throws StructureBuildingException { return buildSMILES(smiles, "", NONE_LABELS_VAL); } FragmentManager(SMILESFragmentBuilder sBuilder, IDManager idManager); }
FragmentManager { Fragment buildSMILES(String smiles) throws StructureBuildingException { return buildSMILES(smiles, "", NONE_LABELS_VAL); } FragmentManager(SMILESFragmentBuilder sBuilder, IDManager idManager);  }
FragmentManager { Fragment buildSMILES(String smiles) throws StructureBuildingException { return buildSMILES(smiles, "", NONE_LABELS_VAL); } FragmentManager(SMILESFragmentBuilder sBuilder, IDManager idManager);   }