@Test public void testSimple2() throws StructureBuildingException { Fragment fragment = sBuilder.build("O=C=O"); List<Atom> atomList = fragment.getAtomList(); assertEquals(3, atomList.size()); assertEquals(ChemEl.O, atomList.get(0).getElement()); assertEquals(ChemEl.C, atomList.get(1).getElement()); assertEquals(ChemEl.O, atomList.get(2).getElement()); Set<Bond> bonds = fragment.getBondSet(); assertEquals(2, bonds.size()); for (Bond bond : bonds) { assertEquals(2, bond.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);   }