/// <summary>
/// SimplifyMolfileForInChIGeneration
/// </summary>
/// <param name="molfile"></param>
/// <returns></returns>
//static string SimplifyMolfileForInChIGeneration(string molfile)
//{
// string smiles = CdkMol.StructureConverter.MolfileStringToSmilesString(molfile); // convert to smiles
// string molfile2 = CdkMol.StructureConverter.SmilesStringToMolfileString(smiles); // and back to V2000 molfile without Sgroups
// return molfile2;
//}
/// <summary>
/// IsAcceptableInchiStatus
/// </summary>
/// <param name="ig"></param>
/// <returns></returns>
static bool IsAcceptableInchiStatus(InChIGenerator ig)
{
INCHI_RET inchiStatus = ig.getReturnStatus();
if (inchiStatus == INCHI_RET.OKAY)
{
return(true);
}
string msg = ig.getMessage();
string log = ig.getLog();
string auxInfo = ig.getAuxInfo();
if (inchiStatus == INCHI_RET.WARNING)
{
return(true);
}
else
{
return(false);
}
}
