9 #ifndef IMPCORE_MCCG_SAMPLER_H
10 #define IMPCORE_MCCG_SAMPLER_H
12 #include <IMP/core/core_config.h>
19 #include <IMP/internal/InternalListSingletonContainer.h>
21 IMPCORE_BEGIN_NAMESPACE
43 unsigned int cg_steps_;
45 typedef std::map<FloatKey, double> BallSizes;
46 BallSizes ball_sizes_;
47 typedef std::map<FloatKey, std::pair<Float, Float> > Bounds;
49 unsigned int attempts_;
51 IMP::OwnerPointer<Optimizer> local_opt_;
54 Parameters default_parameters_;
56 Pointer<ConfigurationSet> rejected_;
58 Parameters fill_in_parameters()
const;
59 void randomize(
const Parameters &pms,
60 IMP::internal::InternalListSingletonContainer *sc)
const;
61 IMP::internal::InternalListSingletonContainer*
62 set_up_movers(
const Parameters &pms,
78 void set_number_of_attempts(
unsigned int att);
81 void set_number_of_monte_carlo_steps(
unsigned int cg);
84 void set_number_of_conjugate_gradient_steps(
unsigned int cg);
88 void set_max_monte_carlo_step_size(
double d);
94 void set_max_monte_carlo_step_size(
FloatKey k,
double d);
98 void set_is_refining(
bool tf);
101 void set_local_optimizer(
Optimizer *opt);
108 void set_save_rejected_configurations(
bool tf);
122 IMPCORE_END_NAMESPACE