@Test public void testSimple8() throws StructureBuildingException { Fragment fragment = sBuilder.build("[I-].[Na+]"); List<Atom> atomList = fragment.getAtomList(); assertEquals(2, atomList.size()); Atom iodine = atomList.get(0); assertEquals(0, iodine.getAtomNeighbours().size()); assertEquals(-1, iodine.getCharge()); Atom sodium = atomList.get(1); assertEquals(0, sodium.getAtomNeighbours().size()); assertEquals(1, sodium.getCharge()); }
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);   }