@Test public void testSimple5() throws StructureBuildingException { Fragment fragment = sBuilder.build("CC(=O)O"); List<Atom> atomList = fragment.getAtomList(); assertEquals(4, atomList.size()); Atom carbon = atomList.get(1); List<Atom> neighbours = carbon.getAtomNeighbours(); assertEquals(3, neighbours.size()); assertEquals(atomList.get(0), neighbours.get(0)); assertEquals(atomList.get(2), neighbours.get(1)); assertEquals(atomList.get(3), neighbours.get(2)); assertEquals(2, carbon.getBondToAtomOrThrow(atomList.get(2)).getOrder()); }
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);   }