178b1bc846ab4546c809771ae5fc2484790fd702,rdkit_fixer.py,,IsResidueConnected,#,879

Before Change

    while len(to_check) > 0:
        aid = to_check.pop()
        if aid in visited_atoms:
            continue

        visited_atoms.add(aid)
        atom = mol.GetAtomWithIdx(aid)

        for atom2 in atom.GetNeighbors():

After Change

    residues = set()
    for aid in atom_ids:
        info = mol.GetAtomWithIdx(aid).GetPDBResidueInfo()
        residue = (info.GetResidueNumber(), info.GetResidueName().strip(),
                   info.GetChainId())
        residues.add(residue)
    if len(residues) > 1:

Instances