def update(self):
for r in self.rs:
print(r.get_name(), r.get_last_score())
# some code to create and evaluate it
k = IMP.FloatKey("a key")
m = IMP.Model()
# we don't have any real restraints in the kernel
r0 = IMP._ConstRestraint(m, [], 1)
r0.set_name("restraint 0")
r1 = IMP._ConstRestraint(m, [], 2)
r1.set_name("restraint 1")
rs = IMP.RestraintSet([r0, r1], 1.0)
sf = rs.create_scoring_function()
os = MyOptimizerState([r0, r1])
os.set_name("python optimizer state")
# we don't have any optimizers either
co = IMP._ConstOptimizer(m)
co.set_scoring_function(sf)
co.add_optimizer_state(os)
print(co.optimize(100))
# this is needed to clean up memory properly for some reason
co.remove_optimizer_state(os)
del os
del m
def update(self):
for r in self.rs:
print(r.get_name(), r.get_last_score())
# some code to create and evaluate it
k = IMP.FloatKey("a key")
m = IMP.Model()
# we don't have any real restraints in the kernel
r0 = IMP._ConstRestraint(m, [], 1)
r0.set_name("restraint 0")
r1 = IMP._ConstRestraint(m, [], 2)
r1.set_name("restraint 1")
rs = IMP.RestraintSet([r0, r1], 1.0)
sf = rs.create_scoring_function()
os = MyOptimizerState([r0, r1])
os.set_name("python optimizer state")
# we don't have any optimizers either
co = IMP._ConstOptimizer(m)
co.set_scoring_function(sf)
co.add_optimizer_state(os)
print(co.optimize(100))
# this is needed to clean up memory properly for some reason
co.remove_optimizer_state(os)
del os
del m
