1) added a check that is pretty much the same as the one bfore it (that checks if there is only 1§ ligand in the group). splicing ligcol.index gave me an index error though, so I decided to stick with H.add_edge(lig['Name'][0], lig['Name'][1]) (seems more intuitive anyway)
2) the while loop in 2. Close Cycles now uses a boolean added_edge that signals whether in this iteration an edge has been added. If after the for loop no edge has been added, exit the while loop to prevent it from hanging.
Attempt at fixing issues in #13.
1) added a check that is pretty much the same as the one bfore it (that checks if there is only 1§ ligand in the group). splicing ligcol.index gave me an index error though, so I decided to stick with
H.add_edge(lig['Name'][0], lig['Name'][1])(seems more intuitive anyway) 2) the while loop in2. Close Cyclesnow uses a booleanadded_edgethat signals whether in this iteration an edge has been added. If after the for loop no edge has been added, exit the while loop to prevent it from hanging.