@Test public void testSimple4() throws StructureBuildingException { Fragment fragment = sBuilder.build("CCN(CC)CC"); List<Atom> atomList = fragment.getAtomList(); assertEquals(7, atomList.size()); Atom nitrogen = atomList.get(2); assertEquals(ChemEl.N, nitrogen.getElement()); assertEquals(3, nitrogen.getBondCount()); List<Atom> neighbours = nitrogen.getAtomNeighbours(); assertEquals(3, neighbours.size()); assertEquals(atomList.get(1), neighbours.get(0)); assertEquals(atomList.get(3), neighbours.get(1)); assertEquals(atomList.get(5), neighbours.get(2)); }
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);   }