public static int ParseInChI(string inchi, string options, out InChIStrucOutput outStruct) { InChIStringInput inp = new InChIStringInput(inchi, options); int retCode = ParseInChI(ref inp, out outStruct); return(retCode); }
public static string GetInChIFromInChI(string inputInChI, string options, out int retCode) { InChIStringInput inp = new InChIStringInput(inputInChI, options); string ret; InChIStringOutput outInChI = new InChIStringOutput(); try { retCode = GetInChIFromInChI(ref inp, out outInChI); ret = outInChI.InChI; } finally { outInChI.Dispose(); } return(ret); }
public static extern int GetInChIFromInChI(ref InChIStringInput inp, out InChIStringOutput outStruct);
public static extern int ParseInChI(ref InChIStringInput input, out InChIStrucOutput output);