The State writes a series of files generated from a printf-style format string.
import IMP
import IMP.display
import IMP.core
m= IMP.Model()
c= IMP.container.ListSingletonContainer(IMP.core.create_xyzr_particles(m, 20, 5))
log= IMP.display.LogOptimizerState(IMP.display.PymolWriter(), "log_file.%04d.pym")
g= IMP.display.XYZRsGeometry(c, IMP.core.XYZR.get_default_radius_key())
g.set_name("my particles")
g.set_color(IMP.display.Color(1,0,0))
log.add_geometry(g)
log.write("initial.pym")
r= IMP.core.ExcludedVolumeRestraint(c)
m.add_restraint(r)
o= IMP.core.MonteCarlo(m)
mv= IMP.core.BallMover(c, 10)
o.add_mover(mv)
o.add_optimizer_state(log)
o.optimize(1000)
Public Member Functions | |
| void | do_update (unsigned int call_number) |
| virtual std::string | get_type_name () const |
| virtual ::IMP::VersionInfo | get_version_info () const |
| PDBOptimizerState (const atom::Hierarchies &mh, std::string name_template) | |
| Write files using name_template as a template (must have a d in it). | |
| void | set_skip_steps (unsigned int k) |
| virtual void | update () |
Friends | |
| template<class T > | |
| void | IMP::internal::unref (T *) |