@Test public void testOrganic4() throws StructureBuildingException { Fragment f = fm.buildSMILES("[S]([H])([H])[H]"); String smiles = SMILESWriter.generateSmiles(f); assertEquals("[SH3]", smiles); }
static String generateSmiles(Fragment structure) { return new SMILESWriter(structure, false).writeSmiles(); }
SMILESWriter { static String generateSmiles(Fragment structure) { return new SMILESWriter(structure, false).writeSmiles(); } }
SMILESWriter { static String generateSmiles(Fragment structure) { return new SMILESWriter(structure, false).writeSmiles(); } private  SMILESWriter(Fragment structure, boolean outputExtendedSmiles); }
SMILESWriter { static String generateSmiles(Fragment structure) { return new SMILESWriter(structure, false).writeSmiles(); } private  SMILESWriter(Fragment structure, boolean outputExtendedSmiles);  }
SMILESWriter { static String generateSmiles(Fragment structure) { return new SMILESWriter(structure, false).writeSmiles(); } private  SMILESWriter(Fragment structure, boolean outputExtendedSmiles);   }