display_log.py

## \example display/display_log.py
# A simple example of how to use one of the IMP.display.LogOptimizerStates.

import IMP.kernel
import IMP.display
import IMP.core
import IMP.container

m = IMP.kernel.Model()
ps = IMP.core.create_xyzr_particles(m, 20, 5)
c = IMP.container.ListSingletonContainer(ps)

# write it to a series of files, if the file name did not contain %1%, then
# it would concatenate the outputs into a single file instead. Concatenating the
# output can be quite useful with Pymol as that makes it less likely to crash.
log = IMP.display.WriteOptimizerState(
    m, IMP.display.ChimeraWriter("log_file.%1%.pym"))
# the logging occurs ever two frames
log.set_period(2)
g = IMP.core.XYZRsGeometry(c)
g.set_name("my particles")
g.set_color(IMP.display.Color(1, 0, 0))
log.add_geometry(g)

r = IMP.core.ExcludedVolumeRestraint(c)
r.set_log_level(IMP.base.VERBOSE)

o = IMP.core.MonteCarlo(m)
o.set_scoring_function([r])
mv = IMP.core.BallMover(ps, 10)
o.add_mover(mv)
o.add_optimizer_state(log)

o.optimize(1000)