public static string GetInChI(ref InChIStrucInput inp, out int retCode)
{
InChIStringOutput output = new InChIStringOutput();
string ret;
// Console.WriteLine("try getinchi starting");
try
{
retCode = GetInChI(ref inp, out output);
ret = output.InChI;
}
finally
{
output.Dispose();
}
return(ret);
}
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);
internal static extern void DeallocateInChIString(ref InChIStringOutput inchiOut);
public static extern int GetInChI(ref InChIStrucInput structData, out InChIStringOutput output);