@Test public void hydrogenHandling2() throws StructureBuildingException { Fragment fragment = sBuilder.build("[CH3][CH2][OH]"); List<Atom> atomList = fragment.getAtomList(); assertEquals(3, atomList.size()); assertEquals(4, atomList.get(0).determineValency(true)); assertEquals(0, atomList.get(0).getProtonsExplicitlyAddedOrRemoved()); assertEquals(4, atomList.get(1).determineValency(true)); assertEquals(0, atomList.get(1).getProtonsExplicitlyAddedOrRemoved()); assertEquals(2, atomList.get(2).determineValency(true)); assertEquals(0, atomList.get(2).getProtonsExplicitlyAddedOrRemoved()); }
Fragment build(String smiles) throws StructureBuildingException { return build(smiles, "", NONE_LABELS_VAL); }
SMILESFragmentBuilder { Fragment build(String smiles) throws StructureBuildingException { return build(smiles, "", NONE_LABELS_VAL); } }
SMILESFragmentBuilder { Fragment build(String smiles) throws StructureBuildingException { return build(smiles, "", NONE_LABELS_VAL); } SMILESFragmentBuilder(IDManager idManager); }
SMILESFragmentBuilder { Fragment build(String smiles) throws StructureBuildingException { return build(smiles, "", NONE_LABELS_VAL); } SMILESFragmentBuilder(IDManager idManager);  }
SMILESFragmentBuilder { Fragment build(String smiles) throws StructureBuildingException { return build(smiles, "", NONE_LABELS_VAL); } SMILESFragmentBuilder(IDManager idManager);   }