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Rosetta
2021.16
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Rosetta
2021.16
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This is the complete list of members for core::energy_methods::ExactOccludedHbondSolEnergy, including all inherited members.
| allocate_grid_of_occluded_sites() | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| atom_type_set_ptr_ | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| atoms_with_dof_derivatives(conformation::Residue const &res, pose::Pose const &pose) const | core::scoring::methods::OneBodyEnergy | virtual |
| clone() const override | core::energy_methods::ExactOccludedHbondSolEnergy | virtual |
| compute_acceptor_atom_energy(conformation::Residue const &polar_rsd, core::Size polar_resnum, core::Size const polar_atom, pose::Pose const &pose) const | core::energy_methods::ExactOccludedHbondSolEnergy | |
| compute_donor_atom_energy(conformation::Residue const &polar_rsd, core::Size polar_resnum, core::Size const polar_atom, pose::Pose const &pose) const | core::energy_methods::ExactOccludedHbondSolEnergy | |
| compute_fully_buried_ene() const | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| compute_grid_constant(core::scoring::hbonds::HBEvalTuple const &hbond_eval_type, core::Real fully_buried_ene) const | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| compute_polar_group_sol_energy(pose::Pose const &pose, conformation::Residue const &polar_rsd, Size const polar_atom, bool const restrict_to_single_occluding_residue=false, Size const single_occluding_resinx=0, bool const restrict_to_single_occluding_atom=false, Size const single_occluding_atominx=0) const | core::energy_methods::ExactOccludedHbondSolEnergy | |
| compute_polar_group_sol_energy(pose::Pose const &pose, conformation::Residue const &polar_rsd, core::Size const polar_atomno, GridInfo const &grid_info, core::Real const &grid_constant, std::vector< std::vector< std::vector< core::Real > > > const &water_weights, bool const restrict_to_single_occluding_residue=false, core::Size const single_occluding_resinx=0, bool const restrict_to_single_occluding_atom=false, core::Size const single_occluding_atominx=0) const | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| compute_sho_acceptor_atom_energy(conformation::Residue const &polar_rsd, core::Size polar_resnum, core::Size const polar_atom, pose::Pose const &pose) const | core::energy_methods::ExactOccludedHbondSolEnergy | |
| compute_sho_donor_atom_energy(conformation::Residue const &polar_rsd, core::Size polar_resnum, core::Size const polar_atom, pose::Pose const &pose) const | core::energy_methods::ExactOccludedHbondSolEnergy | |
| ContextDependentOneBodyEnergy(EnergyMethodCreatorOP) | core::scoring::methods::ContextDependentOneBodyEnergy | |
| defines_dof_derivatives(pose::Pose const &p) const | core::scoring::methods::OneBodyEnergy | virtual |
| defines_high_order_terms(pose::Pose const &) const | core::scoring::methods::EnergyMethod | virtual |
| defines_intrares_energy(core::scoring::EnergyMap const &) const | core::energy_methods::ExactOccludedHbondSolEnergy | inlinevirtual |
| defines_score_for_residue(conformation::Residue const &) const | core::scoring::methods::OneBodyEnergy | virtual |
| EnergyMethod(EnergyMethodCreatorOP creator) | core::scoring::methods::EnergyMethod | |
| etable_evaluator_ | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| eval_atom_derivative(id::AtomID const &id, pose::Pose const &pose, kinematics::DomainMap const &domain_map, ScoreFunction const &sfxn, EnergyMap const &emap, Vector &F1, Vector &F2) const | core::scoring::methods::EnergyMethod | virtual |
| eval_residue_derivatives(conformation::Residue const &rsd, ResSingleMinimizationData const &min_data, pose::Pose const &pose, EnergyMap const &weights, utility::vector1< DerivVectorPair > &atom_derivs) const | core::scoring::methods::OneBodyEnergy | virtual |
| eval_residue_dof_derivative(conformation::Residue const &rsd, ResSingleMinimizationData const &min_data, id::DOF_ID const &dof_id, id::TorsionID const &torsion_id, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap const &weights) const | core::scoring::methods::OneBodyEnergy | virtual |
| exact_occ_pairwise_ | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| exact_occ_pairwise_by_res_ | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| exact_occ_self_res_occ_ | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| exact_occ_skip_Hbonders_ | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| exact_occ_split_between_res_ | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| ExactOccludedHbondSolEnergy(core::scoring::etable::Etable const &etable_in, bool const analytic_etable_evaluation, bool const exact_occ_skip_Hbonders=false, bool const exact_occ_pairwise=false, bool const exact_occ_pairwise_by_res=false, bool const exact_occ_split_between_res=false, bool const exact_occ_self_res_occ=true, core::Real const occ_radius_scaling=1., bool const verbose=false) | core::energy_methods::ExactOccludedHbondSolEnergy | |
| ExactOccludedHbondSolEnergy(ExactOccludedHbondSolEnergy const &src) | core::energy_methods::ExactOccludedHbondSolEnergy | |
| finalize_after_derivatives(pose::Pose &, ScoreFunction const &) const | core::scoring::methods::EnergyMethod | virtual |
| finalize_after_minimizing(pose::Pose &pose) const | core::scoring::methods::EnergyMethod | virtual |
| finalize_total_energy(pose::Pose &pose, ScoreFunction const &sfxn, EnergyMap &total_energy) const | core::scoring::methods::EnergyMethod | virtual |
| get_atom_lk_energy(core::Size const atom_idx, core::conformation::Residue const &res, core::pose::Pose const &ps) const | core::energy_methods::ExactOccludedHbondSolEnergy | |
| get_atom_lk_energy(core::Size atom_idx, conformation::Residue const &res, conformation::Residue const &occ_res) const | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| hb_database_ | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| hbond_set() const | core::energy_methods::ExactOccludedHbondSolEnergy | inline |
| hbond_set_ | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| hbondoptions_ | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| indicate_required_context_graphs(utility::vector1< bool > &) const override | core::energy_methods::ExactOccludedHbondSolEnergy | inlinevirtual |
| init_hbond_data(pose::Pose const &pose) const | core::energy_methods::ExactOccludedHbondSolEnergy | |
| lk_safe_max_dis2_ | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| method_type() const override | core::scoring::methods::ContextDependentOneBodyEnergy | virtual |
| minimize_in_whole_structure_context(pose::Pose const &) const | core::scoring::methods::EnergyMethod | virtual |
| occ_radius_scaling_ | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| occluded_sites_ | core::energy_methods::ExactOccludedHbondSolEnergy | mutableprivate |
| OneBodyEnergy(EnergyMethodCreatorOP) | core::scoring::methods::OneBodyEnergy | |
| parent typedef | core::energy_methods::ExactOccludedHbondSolEnergy | |
| prepare_rotamers_for_packing(pose::Pose const &, conformation::RotamerSetBase &) const | core::scoring::methods::EnergyMethod | virtual |
| provide_citation_info(basic::citation_manager::CitationCollectionList &) const | core::scoring::methods::EnergyMethod | virtual |
| requires_a_setup_for_derivatives_for_residue_opportunity(pose::Pose const &pose) const | core::scoring::methods::OneBodyEnergy | virtual |
| requires_a_setup_for_scoring_for_residue_opportunity_during_minimization(pose::Pose const &pose) const | core::scoring::methods::OneBodyEnergy | virtual |
| requires_a_setup_for_scoring_for_residue_opportunity_during_regular_scoring(pose::Pose const &pose) const | core::scoring::methods::EnergyMethod | virtual |
| residue_energy(conformation::Residue const &polar_rsd, pose::Pose const &pose, core::scoring::EnergyMap &emap) const override | core::energy_methods::ExactOccludedHbondSolEnergy | virtual |
| residue_energy_ext(conformation::Residue const &rsd, ResSingleMinimizationData const &min_data, pose::Pose const &pose, EnergyMap &emap) const | core::scoring::methods::OneBodyEnergy | virtual |
| score_types() const | core::scoring::methods::EnergyMethod | inline |
| set_score_types(EnergyMethodCreatorOP creator) | core::scoring::methods::EnergyMethod | protected |
| setup_for_derivatives(pose::Pose &pose, core::scoring::ScoreFunction const &) const override | core::energy_methods::ExactOccludedHbondSolEnergy | virtual |
| setup_for_derivatives_for_residue(conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfxn, ResSingleMinimizationData &min_data, basic::datacache::BasicDataCache &res_data_cache) const | core::scoring::methods::OneBodyEnergy | virtual |
| setup_for_minimizing(pose::Pose &pose, core::scoring::ScoreFunction const &, kinematics::MinimizerMapBase const &) const override | core::energy_methods::ExactOccludedHbondSolEnergy | virtual |
| setup_for_minimizing_for_residue(conformation::Residue const &rsd, pose::Pose const &, ScoreFunction const &, kinematics::MinimizerMapBase const &, basic::datacache::BasicDataCache &, ResSingleMinimizationData &) const | core::scoring::methods::OneBodyEnergy | virtual |
| setup_for_packing(pose::Pose &pose, utility::vector1< bool > const &, utility::vector1< bool > const &) const override | core::energy_methods::ExactOccludedHbondSolEnergy | virtual |
| setup_for_packing_with_rotsets(pose::Pose &pose, pack_basic::RotamerSetsBaseOP const &rotsets, ScoreFunction const &sfxn) const | core::scoring::methods::EnergyMethod | virtual |
| setup_for_scoring(pose::Pose &pose, core::scoring::ScoreFunction const &) const override | core::energy_methods::ExactOccludedHbondSolEnergy | virtual |
| setup_for_scoring_for_residue(conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfxn, ResSingleMinimizationData &min_data) const | core::scoring::methods::OneBodyEnergy | virtual |
| core::scoring::methods::EnergyMethod::setup_for_scoring_for_residue(conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfxn, basic::datacache::BasicDataCache &residue_data_cache) const | core::scoring::methods::EnergyMethod | virtual |
| show_additional_info(std::ostream &, pose::Pose &, bool) const | core::scoring::methods::EnergyMethod | virtual |
| update_residue_for_packing(pose::Pose &, Size resid) const | core::scoring::methods::EnergyMethod | virtual |
| use_extended_residue_energy_interface() const | core::scoring::methods::OneBodyEnergy | virtual |
| verbose_ | core::energy_methods::ExactOccludedHbondSolEnergy | private |
| version() const override | core::energy_methods::ExactOccludedHbondSolEnergy | virtual |
| ~ExactOccludedHbondSolEnergy() override | core::energy_methods::ExactOccludedHbondSolEnergy | |
| ~OneBodyEnergy() override | core::scoring::methods::OneBodyEnergy |
1.8.7