@Test public void testParseToSmiles() { NameToStructure nts = NameToStructure.getInstance(); String smiles = nts.parseToSmiles("ethane"); assertEquals("CC", smiles); }
public String parseToSmiles(String name) { OpsinResult result = parseChemicalName(name); String smiles = result.getSmiles(); LOG.debug(smiles); return smiles; }
NameToStructure { public String parseToSmiles(String name) { OpsinResult result = parseChemicalName(name); String smiles = result.getSmiles(); LOG.debug(smiles); return smiles; } }
NameToStructure { public String parseToSmiles(String name) { OpsinResult result = parseChemicalName(name); String smiles = result.getSmiles(); LOG.debug(smiles); return smiles; } private  NameToStructure(); }
NameToStructure { public String parseToSmiles(String name) { OpsinResult result = parseChemicalName(name); String smiles = result.getSmiles(); LOG.debug(smiles); return smiles; } private  NameToStructure(); static synchronized NameToStructure getInstance(); static String getVersion(); String parseToCML(String name); String parseToSmiles(String name); OpsinResult parseChemicalName(String name); OpsinResult parseChemicalName(String name, NameToStructureConfig n2sConfig); static ParseRules getOpsinParser(); static void main(String [] args); }
NameToStructure { public String parseToSmiles(String name) { OpsinResult result = parseChemicalName(name); String smiles = result.getSmiles(); LOG.debug(smiles); return smiles; } private  NameToStructure(); static synchronized NameToStructure getInstance(); static String getVersion(); String parseToCML(String name); String parseToSmiles(String name); OpsinResult parseChemicalName(String name); OpsinResult parseChemicalName(String name, NameToStructureConfig n2sConfig); static ParseRules getOpsinParser(); static void main(String [] args);  }