public static void SetCoreStructure(Molecule mol, bool PromptUser)
{
throw new NotImplementedException();
}
public static int ProcessTargetMolecule(Molecule mol)
{
throw new NotImplementedException();
}
/// <summary>
/// Map current query against supplied target molecule
/// </summary>
/// <param name="targetMol"></param>
/// <returns></returns>
public static bool IsSSSMatch(
Molecule targetMol)
{
throw new NotImplementedException();
}
/// <summary>
/// Scan the atoms in a fragment to identify the rgroup that the fragment has been mapped to
/// </summary>
/// <param name="fragment"></param>
/// <returns></returns>
public static int GetFragmentRGroupAssignment(
Molecule fragment)
{
throw new NotImplementedException();
}
/// <summary>
/// GetMolWeight
/// </summary>
/// <param name="mol"></param>
/// <returns></returns>
public static double GetMolWeight(
Molecule mol)
{
throw new NotImplementedException();
}
/// <summary>
/// MoleculetoChimeString
/// </summary>
/// <param name="mol"></param>
/// <returns></returns>
public static string MoleculeToSmilesString(Molecule mol)
{
throw new NotImplementedException();
}
/// <summary>
/// Prepare for FSS matching of supplied query molecule
/// </summary>
/// <param name="queryMol"></param>
public static void SetFSSQueryMolecule(
Molecule queryMol,
string FullStructureSearchType = null)
{
throw new NotImplementedException();
}