public static OBMol addmol(OBMol source, OBMol dest) { //combines two OBMols into one molecule // this is designed to do the same thing as the += operator in mol.cpp, in other words this implements functionality present in openbabel, but not in the C# api dest.BeginModify(); uint prevatms = dest.NumAtoms(); uint nextatms = source.NumAtoms(); // First, handle atoms and bonds foreach (OBAtom atom in source.Atoms()) { atom.SetId(0); ////Need to remove ID which relates to source mol rather than this mol// But in the C++ it had a NoId thing I couldn't figure out dest.AddAtom(atom); //var foooo = dest.Atoms (); } //writeatominfotoscreen (dest); foreach (OBBond bond in source.Bonds()) { bond.SetId(0); dest.AddBond((int)(bond.GetBeginAtomIdx() + prevatms), (int)(bond.GetEndAtomIdx() + prevatms), (int)bond.GetBO(), (int)bond.GetFlags()); } //don't really understand what they mean by residues //I think it's an amino acid or nucleotide so you can build up proteins and stuff? //don't think I'm going to use them either, but it might be useful foreach (OBResidue residue in source.Residues()) { OBResidue newres = new OBResidue(); dest.AddResidue(newres); OBResidueAtomIter ai = new OBResidueAtomIter(residue); //dammit why didn't they implement a residue.atoms sort of thing? I don't want to play with enumerators ////#define FOR_ATOMS_OF_RESIDUE(a,r) for( OBResidueAtomIter a(r); a; ++a ) while (ai.MoveNext()) { OBAtom resatom = new OBAtom(); resatom = ai.Current; // This is the equivalent atom in our combined molecule OBAtom atom = dest.GetAtom((int)(resatom.GetIdx() + prevatms)); // So we add this to the last-added residue // (i.e., what we just copied) //[dest.NumResidues () - 1] var res = dest.Residues().GetEnumerator(); while (!res.MoveNext()) { } //move to the last residue res.Current.AddAtom(atom); //var item = dest.Cast<RMSRequestProcessor.RMSMedia> ().ElementAt (1); } //for(OBAtom resatom in ) } dest.EndModify(); return(dest); }