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);
