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IMP Reference Guide
2.20.0
The Integrative Modeling Platform
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This is the complete list of members for IMP::atom::BrownianDynamics, including all inherited members.
| add_optimizer_state(OptimizerState *obj) (defined in IMP::Optimizer) | IMP::Optimizer | |
| add_optimizer_states(const OptimizerStates &objs) (defined in IMP::Optimizer) | IMP::Optimizer | |
| add_particle(Particle *obj) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
| add_particles(const Particles &objs) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
| BrownianDynamics(Model *m, std::string name="BrownianDynamics%1%", double wave_factor=1.0, unsigned int random_pool_size=10000) | IMP::atom::BrownianDynamics | |
| clear_caches() | IMP::Object | virtual |
| clear_optimizer_states() (defined in IMP::Optimizer) | IMP::Optimizer | |
| clear_particles() (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
| do_advance_chunk(double dtfs, double ikt, const ParticleIndexes &ps, unsigned int begin, unsigned int end) | IMP::atom::BrownianDynamics | protectedvirtual |
| do_destroy() | IMP::Object | protectedvirtual |
| do_get_inputs() const override | IMP::Optimizer | protectedvirtual |
| do_get_interactions() const | IMP::ModelObject | protectedvirtual |
| do_get_outputs() const override | IMP::Optimizer | protectedvirtual |
| do_optimize(unsigned int max_steps) override | IMP::atom::Simulator | protectedvirtual |
| do_simulate(double time) | IMP::atom::Simulator | protectedvirtual |
| do_simulate_wave(double time_in_fs, double max_time_step_factor=10.0, double base=1.5) | IMP::atom::Simulator | protectedvirtual |
| do_step(const ParticleIndexes &sc, double dt_fs) override | IMP::atom::BrownianDynamics | protectedvirtual |
| erase_optimizer_state(unsigned int i) (defined in IMP::Optimizer) | IMP::Optimizer | |
| erase_particle(unsigned int i) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
| get_check_level() const (defined in IMP::Object) | IMP::Object | |
| get_current_time() const | IMP::atom::Simulator | |
| get_force(unsigned int i) const | IMP::atom::BrownianDynamics | protected |
| get_forces() const | IMP::atom::BrownianDynamics | protected |
| get_has_dependencies() const | IMP::ModelObject | |
| get_has_optimizer_states() (defined in IMP::Optimizer) | IMP::Optimizer | |
| get_has_particles() (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
| get_has_required_score_states() const | IMP::ModelObject | |
| get_inputs() const | IMP::ModelObject | |
| get_interactions() const | IMP::ModelObject | |
| get_is_simulation_particle(ParticleIndex p) const override | IMP::atom::BrownianDynamics | protectedvirtual |
| get_is_srk() const | IMP::atom::BrownianDynamics | protected |
| get_kt() const (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
| get_last_score() const | IMP::Optimizer | |
| get_last_time_step() const | IMP::atom::Simulator | |
| get_log_level() const (defined in IMP::Object) | IMP::Object | |
| get_max_step() const | IMP::atom::BrownianDynamics | protected |
| get_maximum_time_step() const | IMP::atom::Simulator | |
| get_model() const (defined in IMP::ModelObject) | IMP::ModelObject | |
| get_name() const (defined in IMP::Object) | IMP::Object | |
| get_number_of_optimizer_states() const (defined in IMP::Optimizer) | IMP::Optimizer | |
| get_number_of_particles() const (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
| get_optimizer_state(unsigned int i) const (defined in IMP::Optimizer) | IMP::Optimizer | |
| get_optimizer_state_inputs() const (defined in IMP::Optimizer) | IMP::Optimizer | protected |
| get_optimizer_states() const (defined in IMP::Optimizer) | IMP::Optimizer | |
| get_outputs() const | IMP::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::ModelObject | |
| get_sample(double sigma) | IMP::atom::BrownianDynamics | protected |
| get_scoring_function() const | IMP::Optimizer | |
| get_simulation_particle_indexes() const | IMP::atom::Simulator | |
| get_simulation_particles() const | IMP::atom::Simulator | |
| get_stop_on_good_score() const (defined in IMP::Optimizer) | IMP::Optimizer | |
| get_temperature() const | IMP::atom::Simulator | |
| get_type_name() const override (defined in IMP::atom::BrownianDynamics) | IMP::atom::BrownianDynamics | virtual |
| get_version_info() const override | IMP::atom::BrownianDynamics | virtual |
| handle_set_has_required_score_states(bool) | IMP::ModelObject | protectedvirtual |
| ModelObject(Model *m, std::string name) (defined in IMP::ModelObject) | IMP::ModelObject | |
| ModelObject() (defined in IMP::ModelObject) | IMP::ModelObject | |
| NonCopyable() (defined in IMP::NonCopyable) | IMP::NonCopyable | protected |
| Object(std::string name) | IMP::Object | protected |
| optimize(unsigned int max_steps) | IMP::Optimizer | |
| Optimizer(Model *m, std::string name="Optimizer %1%") (defined in IMP::Optimizer) | IMP::Optimizer | |
| Optimizer() (defined in IMP::Optimizer) | IMP::Optimizer | |
| optimizer_states | IMP::Optimizer | |
| particles | IMP::atom::Simulator | |
| remove_optimizer_state(OptimizerState *d) (defined in IMP::Optimizer) | IMP::Optimizer | |
| remove_optimizer_states(const OptimizerStates &d) (defined in IMP::Optimizer) | IMP::Optimizer | |
| remove_particle(Particle *d) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
| remove_particles(const Particles &d) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
| reserve_optimizer_states(unsigned int sz) (defined in IMP::Optimizer) | IMP::Optimizer | |
| reserve_particles(unsigned int sz) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
| reset_random_pool() | IMP::atom::BrownianDynamics | protected |
| set_check_level(CheckLevel l) | IMP::Object | |
| set_current_time(double ct) | IMP::atom::Simulator | |
| set_force(unsigned int i, algebra::Vector3D const &f) | IMP::atom::BrownianDynamics | protected |
| set_has_dependencies(bool tf) | IMP::ModelObject | |
| set_has_required_score_states(bool tf) | IMP::ModelObject | |
| set_log_level(LogLevel l) | IMP::Object | |
| set_maximum_move(double ms_in_A) | IMP::atom::BrownianDynamics | |
| set_maximum_time_step(double ts) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
| set_name(std::string name) (defined in IMP::Object) | IMP::Object | |
| set_optimizer_states(const OptimizerStates &ps) (defined in IMP::Optimizer) | IMP::Optimizer | |
| set_optimizer_states_order(const OptimizerStates &objs) (defined in IMP::Optimizer) | IMP::Optimizer | |
| set_particles(const Particles &ps) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
| set_particles_order(const Particles &objs) (defined in IMP::atom::Simulator) | IMP::atom::Simulator | |
| set_scoring_function(ScoringFunctionAdaptor sf) | IMP::Optimizer | virtual |
| set_stop_on_good_score(bool tf) | IMP::Optimizer | |
| set_temperature(double d) | IMP::atom::Simulator | |
| set_use_stochastic_runge_kutta(bool tf) | IMP::atom::BrownianDynamics | |
| set_was_used(bool tf) const | IMP::Object | |
| setup(const ParticleIndexes &ps) override | IMP::atom::BrownianDynamics | protectedvirtual |
| show(std::ostream &out=std::cout) const (defined in IMP::Object) | IMP::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(Model *m, std::string name="Simulator %1%", double wave_factor=1.0) | IMP::atom::Simulator | |
| update_states() const | IMP::Optimizer | protected |
| ~BrownianDynamics() (defined in IMP::atom::BrownianDynamics) | IMP::atom::BrownianDynamics | virtual |
| ~ModelObject() (defined in IMP::ModelObject) | IMP::ModelObject | |
| ~Object() (defined in IMP::Object) | IMP::Object | virtual |