add_mover(MonteCarloMover *obj) (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
add_movers(const MonteCarloMovers &objs) (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
add_optimizer_state(OptimizerState *obj) (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
add_optimizer_states(const OptimizerStates &objs) (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
clear_caches() | IMP::base::Object | virtual |
clear_movers() (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
clear_optimizer_states() (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
clear_range_cache() | IMP::kernel::Optimizer | protected |
do_accept_or_reject_move(double score, double last, double proposal_ratio) | IMP::core::MonteCarlo | protected |
do_accept_or_reject_move(double score, double proposal_ratio) (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | protected |
do_evaluate(const ParticleIndexes &) const | IMP::isd::HybridMonteCarlo | virtual |
do_move() (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | protected |
do_optimize(unsigned int max_steps) | IMP::core::MonteCarlo | protectedvirtual |
do_step() | IMP::isd::HybridMonteCarlo | virtual |
get_best_accepted_energy() const | IMP::core::MonteCarlo | |
get_derivative(FloatIndex fi) const (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | protected |
get_has_movers() (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
get_has_optimizer_states() (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
get_incremental_scoring_function() const (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
get_kinetic_energy() const (defined in IMP::isd::HybridMonteCarlo) | IMP::isd::HybridMonteCarlo | |
get_kt() const (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
get_last_accepted_energy() const | IMP::core::MonteCarlo | |
get_last_score() const | IMP::kernel::Optimizer | |
get_maximum_difference() const (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
get_md() const (defined in IMP::isd::HybridMonteCarlo) | IMP::isd::HybridMonteCarlo | |
get_model() const | IMP::kernel::Optimizer | |
get_movable_particles() const | IMP::core::MonteCarlo | protected |
get_mover(unsigned int i) const (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
get_movers() const (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
get_name() const (defined in IMP::base::Object) | IMP::base::Object | |
get_number_of_forward_steps() const | IMP::core::MonteCarlo | |
get_number_of_md_steps() const (defined in IMP::isd::HybridMonteCarlo) | IMP::isd::HybridMonteCarlo | |
get_number_of_movers() const (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
get_number_of_optimizer_states() const (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
get_number_of_upward_steps() const | IMP::core::MonteCarlo | |
get_optimized_attributes() const (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | protected |
get_optimizer_state(unsigned int i) const (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
get_optimizer_states() const (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
get_persistence() const (defined in IMP::isd::HybridMonteCarlo) | IMP::isd::HybridMonteCarlo | |
get_potential_energy() const (defined in IMP::isd::HybridMonteCarlo) | IMP::isd::HybridMonteCarlo | |
get_scaled_derivative(FloatIndex fi) const (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | protected |
get_scaled_value(FloatIndex fi) const (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | protected |
get_scoring_function() const | IMP::kernel::Optimizer | |
get_stop_on_good_score() const (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
get_timestep() const (defined in IMP::isd::HybridMonteCarlo) | IMP::isd::HybridMonteCarlo | |
get_total_energy() const (defined in IMP::isd::HybridMonteCarlo) | IMP::isd::HybridMonteCarlo | |
get_use_incremental_scoring_function() const (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
get_value(FloatIndex fi) const (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | protected |
get_version_info() const =0 | IMP::base::Object | pure virtual |
HybridMonteCarlo(Model *m, Float kT=1.0, unsigned steps=100, Float timestep=1.0, unsigned persistence=1) (defined in IMP::isd::HybridMonteCarlo) | IMP::isd::HybridMonteCarlo | |
MonteCarlo(Model *m=nullptr) (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
NonCopyable() (defined in IMP::base::NonCopyable) | IMP::base::NonCopyable | protected |
Object(std::string name) | IMP::base::Object | protected |
ObjectsTemp typedef | IMP::base::Object | related |
optimize(unsigned int max_steps) | IMP::kernel::Optimizer | |
Optimizer() (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
Optimizer(Model *m, std::string name="Optimizer %1%") (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
OptimizersTemp typedef | IMP::kernel::Optimizer | related |
remove_mover(MonteCarloMover *d) (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
remove_movers(const MonteCarloMovers &d) (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
remove_optimizer_state(OptimizerState *d) (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
remove_optimizer_states(const OptimizerStates &d) (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
reserve_movers(unsigned int sz) (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
reserve_optimizer_states(unsigned int sz) (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
set_check_level(CheckLevel l) | IMP::base::Object | |
set_incremental_scoring_function(IncrementalScoringFunction *isf) | IMP::core::MonteCarlo | |
set_kt(Float t) (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
set_log_level(LogLevel l) | IMP::base::Object | |
set_maximum_difference(double d) | IMP::core::MonteCarlo | |
set_model(Model *m) | IMP::kernel::Optimizer | |
set_movers(const MonteCarloMovers &ps) (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
set_movers_order(const MonteCarloMovers &objs) (defined in IMP::core::MonteCarlo) | IMP::core::MonteCarlo | |
set_name(std::string name) (defined in IMP::base::Object) | IMP::base::Object | |
set_number_of_md_steps(unsigned nsteps) (defined in IMP::isd::HybridMonteCarlo) | IMP::isd::HybridMonteCarlo | |
set_optimizer_states(const OptimizerStates &ps) (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
set_optimizer_states_order(const OptimizerStates &objs) (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
set_persistence(unsigned persistence=1) (defined in IMP::isd::HybridMonteCarlo) | IMP::isd::HybridMonteCarlo | |
set_return_best(bool tf) | IMP::core::MonteCarlo | |
set_scaled_value(FloatIndex fi, Float v) const (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | protected |
set_scoring_function(ScoringFunctionAdaptor sf) | IMP::kernel::Optimizer | virtual |
set_stop_on_good_score(bool tf) | IMP::kernel::Optimizer | |
set_timestep(Float ts) (defined in IMP::isd::HybridMonteCarlo) | IMP::isd::HybridMonteCarlo | |
set_value(FloatIndex fi, double v) const (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | protected |
set_was_used(bool tf) const | IMP::base::Object | |
show(std::ostream &out=std::cout) const | IMP::kernel::Optimizer | virtual |
update_states() const | IMP::kernel::Optimizer | protected |
width(FloatKey k) const (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | protected |