static IAtomContainer ParseInChI(string inchi)
{
try
{
var structure = InChIToStructure.FromInChI(inchi);
if (structure.ReturnStatus == InChIReturnCode.Ok)
{
return(structure.AtomContainer);
}
}
catch (Exception)
{
}
return(null);
}
public static IAtomContainer MolFromInChI(string inchi)
{
try
{
var mol = InChIToStructure.FromInChI(inchi);
if (mol.ReturnStatus > InChIReturnCode.Warning)
{
throw new Exception(mol.Message);
}
return(mol.AtomContainer);
}
catch (Exception)
{
}
return(null);
}