You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
This is a list of known issues/things to improve in the Wizard. As of current writing (Oct 2021), I'm working on the things listed as "before release of v0.3." For things listed as "after v0.3", I'd happily accept PRs!
Fix error when bad filename given while loading topology from PDB (should give file not found error):
🧙 Where is a PDB file describing your system? foo.pdb
👺 Sorry, I couldn't understand the input 'foo.pdb'.
Here's the error I got:
RuntimeError: No CategoryCompiler registered for 'engine'
Add ?? functionality to get help about help (what additional options are allowed for help -- e.g., for category help, you can give either number or name)
Add ?repeat (and !repeat, perhaps?) to repeat a question -- especially in the case of ask_enumerate_dict type of things.
Add !ls command (should this call the system version to match user prefs on output (color, etc)?)
Enable history with up-arrow (should be at the level of the console, see Python stdlib module readline)
Add help when selecting from existing objects (must come from context, I think)
Remove ask_enumerate, replace all with ask_enumerate_dict
Add summary for after using LoadFromOPSFile (it feels too abrupt going to the next thing now)
... and, obviously, add we need to extend support to add more options from the tools in OPS!
This is a list of known issues/things to improve in the Wizard. As of current writing (Oct 2021), I'm working on the things listed as "before release of v0.3." For things listed as "after v0.3", I'd happily accept PRs!
Before release of v0.3
n_frames_max(#58)Helperto parse input when selecting objects from OPS file (allow commands) (#58)OrderedSetto handle this) (#60)After v0.3
Fix error when bad filename given while loading topology from PDB (should give file not found error):
Add
??functionality to get help about help (what additional options are allowed for help -- e.g., for category help, you can give either number or name)Add
?repeat(and!repeat, perhaps?) to repeat a question -- especially in the case ofask_enumerate_dicttype of things.Add
!lscommand (should this call the system version to match user prefs on output (color, etc)?)Enable history with up-arrow (should be at the level of the
console, see Python stdlib modulereadline)Add help when selecting from existing objects (must come from
context, I think)Remove
ask_enumerate, replace all withask_enumerate_dictAdd summary for after using LoadFromOPSFile (it feels too abrupt going to the next thing now)
... and, obviously, add we need to extend support to add more options from the tools in OPS!