 |
Rosetta
2021.16
|
All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
|
Rosetta
2021.16
|
This is the complete list of members for core::scoring::geometric_solvation::GeometricSolEnergyEvaluator, including all inherited members.
| acceptorRes_occludingRes_geometric_sol_intra(conformation::Residue const &rsd, pose::Pose const &pose, bool const just_RNA=false) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | private |
| acceptorRes_occludingRes_geometric_sol_one_way(conformation::Residue const &acc_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | inlineprivate |
| acceptorRes_occludingRes_geometric_sol_one_way_bb_bb(conformation::Residue const &acc_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | inlineprivate |
| acceptorRes_occludingRes_geometric_sol_one_way_sc(conformation::Residue const &acc_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | inlineprivate |
| atom_is_heavy(conformation::Residue const &rsd, Size const atm) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| atomic_interaction_cutoff() const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| check_path_distance(conformation::Residue const &rsd1, conformation::Residue const &rsd2, Size const &atm1, Size const &atm2) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | private |
| defines_score_for_residue_pair(conformation::Residue const &rsd1, conformation::Residue const &rsd2, bool res_moving_wrt_eachother) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| dist_cut2_ | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | private |
| donorRes_occludingRes_geometric_sol_intra(conformation::Residue const &rsd, pose::Pose const &pose, bool const just_RNA=false) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | private |
| donorRes_occludingRes_geometric_sol_one_way(conformation::Residue const &don_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | inlineprivate |
| donorRes_occludingRes_geometric_sol_one_way_bb_bb(conformation::Residue const &don_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | inlineprivate |
| donorRes_occludingRes_geometric_sol_one_way_sc(conformation::Residue const &don_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | inlineprivate |
| eval_atom_energy(id::AtomID const &atom_id, pose::Pose const &pose) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| eval_intrares_derivatives(conformation::Residue const &rsd, pose::Pose const &pose, Real const &geom_sol_intra_weight, utility::vector1< DerivVectorPair > &atom_derivs, bool const just_rna=false) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| eval_intrares_energy(conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &, EnergyMap &emap) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| eval_residue_pair_derivatives(conformation::Residue const &ires, conformation::Residue const &jres, ResPairMinimizationData const &min_data, pose::Pose const &pose, Real const geom_sol_weight, utility::vector1< DerivVectorPair > &r1_atom_derivs, utility::vector1< DerivVectorPair > &r2_atom_derivs) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| geometric_sol_one_way_bb_bb(conformation::Residue const &polar_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| geometric_sol_one_way_sc(conformation::Residue const &polar_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| geometric_sol_scale_ | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | private |
| GeometricSolEnergyEvaluator(methods::EnergyMethodOptions const &opts) | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| GeometricSolEnergyEvaluator(GeometricSolEnergyEvaluator const &src) | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| get_acceptor_base_atm_xyz(conformation::Residue const &acc_rsd, Size const &acc_atm, hbonds::HBEvalTuple const &hbt) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | inlineprivate |
| get_atom_atom_geometric_solvation_for_acceptor(Size const acc_atm, conformation::Residue const &acc_rsd, Size const occ_atm, conformation::Residue const &occ_rsd, pose::Pose const &pose, Real &energy, bool const update_deriv=false, hbonds::HBondDerivs &deriv=core::scoring::hbonds::DUMMY_DERIVS, hbonds::HBEvalTuple &hbe=core::scoring::hbonds::DUMMY_HBE) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| get_atom_atom_geometric_solvation_for_donor(Size const don_h_atm, conformation::Residue const &don_rsd, Size const occ_atm, conformation::Residue const &occ_rsd, pose::Pose const &pose, Real &energy, bool const update_deriv=false, hbonds::HBondDerivs &deriv=core::scoring::hbonds::DUMMY_DERIVS, hbonds::HBEvalTuple &hbe=core::scoring::hbonds::DUMMY_HBE) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| get_count_pair_function(Size const res1, Size const res2, pose::Pose const &pose) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| get_count_pair_function(conformation::Residue const &rsd1, conformation::Residue const &rsd2) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| get_intrares_countpair(conformation::Residue const &res) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| get_water_cos(Vector const &base_atm_xyz, Vector const &polar_atm_xyz, Vector const &occluding_atm_xyz) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | inlineprivate |
| hb_database_ | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | private |
| interres_path_distance_cutoff_ | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | private |
| intrares_path_distance_cutoff_ | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | private |
| occluded_water_hbond_penalty(bool const &is_donor, hbonds::HBEvalTuple const &hbond_eval_type, Vector const &polar_atm_xyz, Vector const &base_atm_xyz, Vector const &base2_atm_xyz, Vector const &occluding_atm_xyz, Size const &polar_nb, Size const &occ_nb, bool const update_deriv=false, hbonds::HBondDerivs &deriv=core::scoring::hbonds::DUMMY_DERIVS) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | inlineprivate |
| options_ | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | private |
| path_distance_ | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | mutableprivate |
| precalculate_bb_bb_energy_for_design(pose::Pose const &pose) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| res_res_geometric_sol_one_way(conformation::Residue const &polar_rsd, conformation::Residue const &occ_rsd, pose::Pose const &pose) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| residue_pair_energy(conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &, EnergyMap &emap) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| residue_pair_energy_ext(conformation::Residue const &rsd1, conformation::Residue const &rsd2, ResPairMinimizationData const &min_data, pose::Pose const &pose) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| set_water_base_atm(Vector const &base_v, Vector const &atom_v, Vector const &water_v, Vector &water_base_v, Real const &xH, Distance const &bond_length) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | inlineprivate |
| setup_for_minimizing_for_residue_pair(conformation::Residue const &rsd1, conformation::Residue const &rsd2, ResPairMinimizationData &pair_data) const | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | |
| verbose_ | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator | private |
| ~GeometricSolEnergyEvaluator() override | core::scoring::geometric_solvation::GeometricSolEnergyEvaluator |
1.8.7