6 from __future__
import print_function
14 """An optimizer state which prints out the last scores of some restraints"""
16 def __init__(self, rs):
17 IMP.OptimizerState.__init__(self, rs[0].get_model(),
18 "MyOptimizerState%1%")
23 print(r.get_name(), r.get_last_score())
29 r0 = IMP._ConstRestraint(m, [], 1)
30 r0.set_name(
"restraint 0")
32 r1 = IMP._ConstRestraint(m, [], 2)
33 r1.set_name(
"restraint 1")
36 sf = rs.create_scoring_function()
39 os.set_name(
"python optimizer state")
41 co = IMP._ConstOptimizer(m)
42 co.set_scoring_function(sf)
43 co.add_optimizer_state(os)
44 print(co.optimize(100))
47 co.remove_optimizer_state(os)
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
Object used to hold a set of restraints.
Class for storing model, its restraints, constraints, and particles.
Shared optimizer state that is invoked upon commitment of new coordinates.
virtual void update()
Called when the Optimizer accepts a new conformation.