IMP
2.4.0
The Integrative Modeling Platform
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This variant of Monte Carlo that relaxes after each move. More...
#include <IMP/core/MonteCarlo.h>
This variant of Monte Carlo that relaxes after each move.
Definition at line 219 of file MonteCarlo.h.
Public Member Functions | |
MonteCarloWithLocalOptimization (Optimizer *opt, unsigned int steps) | |
Optimizer * | get_local_optimizer () const |
unsigned int | get_number_of_steps () const |
virtual std::string | get_type_name () const |
virtual ::IMP::base::VersionInfo | get_version_info () const |
Get information about the module and version of the object. More... | |
Public Member Functions inherited from IMP::core::MonteCarlo | |
MonteCarlo (kernel::Model *m) | |
double | get_best_accepted_energy () const |
If return best is on, returns the best energy found so far. More... | |
double | get_last_accepted_energy () const |
Return the energy of the last accepted state. More... | |
double | get_maximum_difference () const |
double | get_score_threshold () const |
Get the score threshold. More... | |
void | set_maximum_difference (double d) |
void | set_return_best (bool tf) |
void | set_score_threshold (double s) |
Set the score threshold. More... | |
void | set_kt (Float t) |
Float | get_kt () const |
unsigned int | get_number_of_forward_steps () const |
Return how many times the optimizer has succeeded in taking a step. More... | |
unsigned int | get_number_of_downward_steps () const |
Return how many times the optimizer has stepped to lower score. More... | |
unsigned int | get_number_of_upward_steps () const |
Return how many times the optimizer has stepped to higher score. More... | |
unsigned int | get_number_of_proposed_steps () const |
Get number of proposed moves. More... | |
unsigned int | get_number_of_accepted_steps () const |
Get number of accepted moves. More... | |
void | reset_statistics () |
void | remove_mover (MonteCarloMover *d) |
void | remove_movers (const MonteCarloMovers &d) |
void | set_movers (const MonteCarloMovers &ps) |
void | set_movers_order (const MonteCarloMovers &objs) |
unsigned int | add_mover (MonteCarloMover *obj) |
void | add_movers (const MonteCarloMovers &objs) |
void | clear_movers () |
unsigned int | get_number_of_movers () const |
bool | get_has_movers () |
MonteCarloMover * | get_mover (unsigned int i) const |
MonteCarloMovers | get_movers () const |
void | reserve_movers (unsigned int sz) |
void | set_incremental_scoring_function (IncrementalScoringFunction *isf) |
bool | get_use_incremental_scoring_function () const |
IncrementalScoringFunction * | get_incremental_scoring_function () const |
Public Member Functions inherited from IMP::kernel::Optimizer | |
Optimizer (kernel::Model *m, std::string name="Optimizer %1%") | |
double | get_last_score () const |
Return the score found in the last evaluate. More... | |
ScoringFunction * | get_scoring_function () const |
Return the scoring function that is being used. More... | |
bool | get_stop_on_good_score () const |
double | optimize (unsigned int max_steps) |
Optimize the model for up to max_steps iterations. More... | |
virtual void | set_scoring_function (ScoringFunctionAdaptor sf) |
void | set_stop_on_good_score (bool tf) |
void | remove_optimizer_state (OptimizerState *d) |
void | remove_optimizer_states (const OptimizerStates &d) |
void | set_optimizer_states (const OptimizerStates &ps) |
void | set_optimizer_states_order (const OptimizerStates &objs) |
unsigned int | add_optimizer_state (OptimizerState *obj) |
void | add_optimizer_states (const OptimizerStates &objs) |
void | clear_optimizer_states () |
unsigned int | get_number_of_optimizer_states () const |
bool | get_has_optimizer_states () |
OptimizerState * | get_optimizer_state (unsigned int i) const |
OptimizerStates | get_optimizer_states () const |
void | reserve_optimizer_states (unsigned int sz) |
Public Member Functions inherited from IMP::kernel::ModelObject | |
ModelObject (kernel::Model *m, std::string name) | |
bool | get_has_dependencies () const |
Return whether this object has dependencies computed. More... | |
bool | get_has_required_score_states () const |
Return whether score states are computed. More... | |
ModelObjectsTemp | get_inputs () const |
ModelObjectsTemps | get_interactions () const |
Get the interacting sets induced by this ModelObject. More... | |
Model * | get_model () const |
ModelObjectsTemp | get_outputs () const |
const ScoreStatesTemp & | get_required_score_states () const |
Get the score states that are ancestors of this in the dependency graph. More... | |
void | set_has_dependencies (bool tf) |
Either invalidate the dependencies or ensure they are correct. More... | |
void | set_has_required_score_states (bool tf) |
Compute the required score states. More... | |
Public Member Functions inherited from IMP::base::Object | |
virtual void | clear_caches () |
CheckLevel | get_check_level () const |
LogLevel | get_log_level () const |
void | set_check_level (CheckLevel l) |
void | set_log_level (LogLevel l) |
Set the logging level used in this object. More... | |
void | set_was_used (bool tf) const |
void | show (std::ostream &out=std::cout) const |
const std::string & | get_name () const |
void | set_name (std::string name) |
Protected Member Functions | |
virtual void | do_step () |
a class that inherits from this should override this method More... | |
Protected Member Functions inherited from IMP::core::MonteCarlo | |
bool | do_accept_or_reject_move (double score, double last, double proposal_ratio) |
bool | do_accept_or_reject_move (double score, double proposal_ratio) |
virtual double | do_evaluate (const kernel::ParticleIndexes &moved) const |
Get the current energy. More... | |
MonteCarloMoverResult | do_move () |
virtual Float | do_optimize (unsigned int max_steps) |
override this function to do actual optimization More... | |
kernel::ParticleIndexes | get_movable_particles () const |
Protected Member Functions inherited from IMP::kernel::Optimizer | |
virtual ModelObjectsTemp | do_get_inputs () const |
virtual ModelObjectsTemp | do_get_outputs () const |
don't return anything here to avoid pointless dependencies More... | |
ModelObjectsTemp | get_optimizer_state_inputs () const |
void | update_states () const |
Update optimizer states, should be called at each successful step. More... | |
Protected Member Functions inherited from IMP::kernel::ModelObject | |
virtual ModelObjectsTemps | do_get_interactions () const |
virtual void | handle_set_has_required_score_states (bool) |
Protected Member Functions inherited from IMP::base::Object | |
Object (std::string name) | |
Construct an object with the given name. More... | |
virtual void | do_destroy () |
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protectedvirtual |
a class that inherits from this should override this method
Reimplemented from IMP::core::MonteCarlo.
Reimplemented in IMP::core::MonteCarloWithBasinHopping.
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virtual |
Get information about the module and version of the object.
Reimplemented from IMP::core::MonteCarlo.
Reimplemented in IMP::core::MonteCarloWithBasinHopping.
Definition at line 232 of file MonteCarlo.h.