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 | |
add_particle(kernel::Particle *obj) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
add_particles(const kernel::Particles &objs) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
BrownianDynamics(kernel::Model *m, std::string name="BrownianDynamics%1%", double wave_factor=1.0) | IMP::atom::BrownianDynamics | |
clear_caches() | IMP::base::Object | virtual |
clear_optimizer_states() (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
clear_particles() (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
clear_range_cache() | IMP::kernel::Optimizer | |
do_destroy() | IMP::base::Object | virtual |
do_get_inputs() const | IMP::kernel::Optimizer | protectedvirtual |
do_get_interactions() const | IMP::kernel::ModelObject | protectedvirtual |
do_get_outputs() const | IMP::kernel::Optimizer | protectedvirtual |
do_optimize(unsigned int max_steps) | IMP::atom::Simulator | protectedvirtual |
get_check_level() const (defined in IMP::base::Object) | IMP::base::Object | |
get_current_time() const | IMP::atom::Simulator | |
get_derivative(FloatIndex fi) const | IMP::kernel::Optimizer | |
get_has_dependencies() const | IMP::kernel::ModelObject | |
get_has_optimizer_states() (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
get_has_particles() (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
get_has_required_score_states() const | IMP::kernel::ModelObject | |
get_inputs() const | IMP::kernel::ModelObject | |
get_interactions() const | IMP::kernel::ModelObject | |
get_is_part_of_model() const | IMP::kernel::ModelObject | |
get_kt() const (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
get_last_score() const | IMP::kernel::Optimizer | |
get_last_time_step() const (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
get_log_level() const (defined in IMP::base::Object) | IMP::base::Object | |
get_maximum_time_step() const (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
get_model() const (defined in IMP::kernel::ModelObject) | IMP::kernel::ModelObject | |
get_name() const (defined in IMP::base::Object) | IMP::base::Object | |
get_number_of_optimizer_states() const (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
get_number_of_particles() const (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
get_optimized_attributes() const | IMP::kernel::Optimizer | |
get_optimizer_state(unsigned int i) const (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
get_optimizer_state_inputs() const (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | protected |
get_optimizer_states() const (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
get_outputs() const | IMP::kernel::ModelObject | |
get_particle(unsigned int i) const (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
get_particles() const (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
get_required_score_states() const | IMP::kernel::ModelObject | |
get_restraints() const | IMP::kernel::Optimizer | |
get_scaled_derivative(FloatIndex fi) const | IMP::kernel::Optimizer | |
get_scaled_value(FloatIndex fi) const | IMP::kernel::Optimizer | |
get_score_threshold() const | IMP::kernel::Optimizer | |
get_scoring_function() const | IMP::kernel::Optimizer | |
get_simulation_particle_indexes() const (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
get_simulation_particles() const | IMP::atom::Simulator | |
get_stop_on_good_score() const (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
get_temperature() const (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
get_type_name() const (defined in IMP::atom::BrownianDynamics) | IMP::atom::BrownianDynamics | virtual |
get_value(FloatIndex fi) const | IMP::kernel::Optimizer | |
get_version_info() const | IMP::atom::BrownianDynamics | virtual |
get_width(FloatKey k) const | IMP::kernel::Optimizer | |
handle_set_has_required_score_states(bool) | IMP::kernel::ModelObject | protectedvirtual |
ModelObject(kernel::Model *m, std::string name) (defined in IMP::kernel::ModelObject) | IMP::kernel::ModelObject | |
ModelObject(std::string name) | IMP::kernel::ModelObject | |
NonCopyable() (defined in IMP::base::NonCopyable) | IMP::base::NonCopyable | protected |
Object(std::string name) | IMP::base::Object | protected |
Object() | IMP::base::Object | protected |
optimize(unsigned int max_steps) | IMP::kernel::Optimizer | |
Optimizer(kernel::Model *m, std::string name="Optimizer %1%") (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
Optimizer() | IMP::kernel::Optimizer | |
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 | |
remove_particle(kernel::Particle *d) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
remove_particles(const kernel::Particles &d) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
reserve_optimizer_states(unsigned int sz) (defined in IMP::kernel::Optimizer) | IMP::kernel::Optimizer | |
reserve_particles(unsigned int sz) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
set_check_level(CheckLevel l) | IMP::base::Object | |
set_current_time(double ct) | IMP::atom::Simulator | |
set_has_dependencies(bool tf) | IMP::kernel::ModelObject | |
set_has_required_score_states(bool tf) | IMP::kernel::ModelObject | |
set_log_level(LogLevel l) | IMP::base::Object | |
set_maximum_move(double ms) (defined in IMP::atom::BrownianDynamics) | IMP::atom::BrownianDynamics | |
set_maximum_time_step(double ts) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
set_model(kernel::Model *m) | IMP::kernel::ModelObject | virtual |
set_name(std::string name) (defined in IMP::base::Object) | IMP::base::Object | |
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_particles(const kernel::Particles &ps) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
set_particles_order(const kernel::Particles &objs) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
set_restraints(const RestraintsTemp &rs) | IMP::kernel::Optimizer | |
set_scaled_value(FloatIndex fi, Float v) const | IMP::kernel::Optimizer | |
set_score_threshold(double s) | IMP::kernel::Optimizer | |
set_scoring_function(ScoringFunctionAdaptor sf) | IMP::kernel::Optimizer | virtual |
set_stop_on_good_score(bool tf) | IMP::kernel::Optimizer | |
set_temperature(double d) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
set_use_stochastic_runge_kutta(bool tf) (defined in IMP::atom::BrownianDynamics) | IMP::atom::BrownianDynamics | |
set_value(FloatIndex fi, double v) const | IMP::kernel::Optimizer | |
set_was_used(bool tf) const | IMP::base::Object | |
show(std::ostream &out=std::cout) const (defined in IMP::base::Object) | IMP::base::Object | |
simulate(double time_in_fs) | IMP::atom::Simulator | |
simulate_wave(double time_in_fs, double max_time_step_factor=10.0, double base=1.5) | IMP::atom::Simulator | |
Simulator(kernel::Model *m, std::string name="Simulator %1%", double wave_factor=1.0) | IMP::atom::Simulator | |
update_states() const | IMP::kernel::Optimizer | protected |
width(FloatKey k) const | IMP::kernel::Optimizer | |
~ModelObject() (defined in IMP::kernel::ModelObject) | IMP::kernel::ModelObject | |