renaming universes? about mdsynthesis HOT 1 CLOSED

Currently, there is no way to directly rename a universe. For now you could do:

s.universes[old]
s.universes.add(new, s.universe.filename, s.universe.trajectory.filenames)
s.universes.resnums(new, s.universe.atoms.resnums)
s.universes[new]
s.selections.copy(old)
s.universes.remove(old)

And this will ensure everything the old universe definition had ends up in the new one, but this is beyond clunky. I aggree this method (Sim.universes.rename()) should be added, and I think the other pythonic expression should work, too (once we have #25, it will be almost trivial). I can add the __delitem__ method immediately so that

del Sim.universes[old]

works as expected.

from mdsynthesis.