Pass to restrain_atoms a list of atom indices

I came across a case where creating a DSL selection string for the atoms I need to restrain is quite a pain. I’m thinking of making forcefactories.restrain_atoms() a little more flexible by changing its signature from

def restrain_atoms(..., topology, atoms_dsl,...):

to

def restrain_atoms(..., restrained_atoms, ...):

where restrained_atoms is a simple list of atom indices. Any objections to this?

[Lnaden]

Better. I really think having both functionalities, or at bare minimum a DSL processing is much better from a user standpoint than just atom indices.

[andrrizzi]

I like that better (I hate not having proper overloading in Python)! Although, I’d do only 2 methods

def restrain_atoms_by_dsl(..., topology, atoms_dsl, ...):
    restrained_atoms = topology.select(atoms_dsl).list()
    return restrain_atoms(...,restrained_atoms,...)

def restrain_atoms(..., atom_indices, ...):
    # Stuff