Expected behavior
I can use control packets in the IMD protocol through IMDClient methods.
client = IMDClient(host, port, n_atoms=1000)
...
PAUSE
PAUSE to temporarily halt the simulation
# directly pause simulation
# v2: sending PAUSE (not sure how we could ascertain that it actually pauses,
# given that in v2 PAUSE toggles)
# v3: sending PAUSE
success = client.pause()
if success:
print("paused simulation")If it makes sense for the client to report success through a return value then we could implement it although in some cases the only sensible response may be to raise an exception.
RESUME
RESUME to continue running a paused simulation:
# directly resume simulation
# v2: sending PAUSE again (toggle)
# v3: sending RESUME
success = client.resume()
WAIT
WAIT to modify the wait behavior.
# set to blocking: Pause simulation execution and wait until a receiver is
# connected to resume execution
success = client.wait(blocking=True)
# set to non-blocking: Continue execution, continuously checking on the
# listening socket for a receiver attempting to connect
success = client.wait(blocking=False)
DISCONNECT
DISCONNECT to indicate that the simulation engine should close the connected socket.
I am not 100% sure if this signal should be exposed and users should instead always use IMDClient.stop() because it may leave IMDClient in an incomplete state. However, if we want to give full control to the power user then
success = client.disconnect()
may do the job.
KILL
KILL to terminate the simulation.
Like DISCONNECT, there's a risk of leaving imdclient in a poor state.
TRANSMISSION RATE (TRATE)
TRANSMISSION_RATE to change the frame interval for sending data. 1 means "every integrator step", <1 means "reset to default of the MD engine", ">1" meanse every that many steps.
success = client.transmission_rate(5) # set to every 5 steps
success = client.transmission_rate(0) # set to default (or -1, -2, ...)
success = client.transmission_rate(None) # allow None for 0, -1, ...
Raise TypeError if value exceeds signed int32 max.
Actual behavior
- The IMDClient docs only document IMDClient.stop()
- DISCONNECT is wrapped by
stop()
- other packets such PAUSE, RESUME, WAIT are only available in the actual
_producer as underscore methods and not in the IMDClient.
- KILL does not exist
- TRANSMISSION_RATE does not exist
Suggested Changes
Expected behavior
I can use control packets in the IMD protocol through
IMDClientmethods.PAUSE
PAUSE to temporarily halt the simulation
If it makes sense for the client to report success through a return value then we could implement it although in some cases the only sensible response may be to raise an exception.
RESUME
RESUME to continue running a paused simulation:
WAIT
WAIT to modify the wait behavior.
DISCONNECT
DISCONNECT to indicate that the simulation engine should close the connected socket.
I am not 100% sure if this signal should be exposed and users should instead always use IMDClient.stop() because it may leave IMDClient in an incomplete state. However, if we want to give full control to the power user then
may do the job.
KILL
KILL to terminate the simulation.
Like DISCONNECT, there's a risk of leaving imdclient in a poor state.
TRANSMISSION RATE (TRATE)
TRANSMISSION_RATE to change the frame interval for sending data. 1 means "every integrator step", <1 means "reset to default of the MD engine", ">1" meanse every that many steps.
Raise
TypeErrorif value exceeds signed int32 max.Actual behavior
stop()_produceras underscore methods and not in the IMDClient.Suggested Changes