@Test public void chiralityTest8() throws StructureBuildingException { Fragment fragment = sBuilder.build("[S@](C)(N)=O"); List<Atom> atomList = fragment.getAtomList(); assertEquals(4, atomList.size()); Atom chiralAtom = atomList.get(0); assertEquals(3, chiralAtom.getAtomNeighbours().size()); AtomParity atomParity = chiralAtom.getAtomParity(); Atom[] atomRefs4 = atomParity.getAtomRefs4(); assertEquals(atomList.get(0), atomRefs4[0]); assertEquals(atomList.get(1), atomRefs4[1]); assertEquals(atomList.get(2), atomRefs4[2]); assertEquals(atomList.get(3), atomRefs4[3]); assertEquals(-1, atomParity.getParity()); }
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);   }