| atom_id_to_pcs_xyz_deriv_map_ | protocols::nmr::pcs::PCSEnergy | mutableprivate |
| atomic_interaction_cutoff() const | core::scoring::methods::WholeStructureEnergy | inlinevirtual |
| calcualate_total_score_and_tensors(Pose &pose) const | protocols::nmr::pcs::PCSEnergy | |
| calculate_score_and_tensors_by_nls(Pose &pose, utility::vector1< core::scoring::nmr::pcs::PCSSingleSetOP > &pcs_singlesets, Vector &metal_coords, utility::fixedsizearray1< Real, 6 > const &metal_coord_range, core::Size tag_residue_number) const | protocols::nmr::pcs::PCSEnergy | private |
| calculate_score_and_tensors_by_svd(Pose &pose, utility::vector1< core::scoring::nmr::pcs::PCSSingleSetOP > &pcs_singlesets, Vector &metal_coords, core::Size tag_residue_number, bool optimize_tensors=false) const | protocols::nmr::pcs::PCSEnergy | private |
| calculate_score_and_tensors_with_gridsearch(Pose &pose, PCSMultiSet &pcs_data, bool optimize_tensors=false) const | protocols::nmr::pcs::PCSEnergy | private |
| calculate_score_and_tensors_with_spinlabel(Pose &pose, PCSMultiSet &pcs_data, bool optimize_tensors=false) const | protocols::nmr::pcs::PCSEnergy | private |
| clone() const override | protocols::nmr::pcs::PCSEnergy | virtual |
| defines_high_order_terms(pose::Pose const &) const | core::scoring::methods::EnergyMethod | virtual |
| EnergyMap typedef | protocols::nmr::pcs::PCSEnergy | |
| EnergyMethod(EnergyMethodCreatorOP creator) | core::scoring::methods::EnergyMethod | |
| eval_atom_derivative(core::id::AtomID const &id, Pose const &pose, core::kinematics::DomainMap const &, ScoreFunction const &, EnergyMap const &weights, Vector &F1, Vector &F2) const override | protocols::nmr::pcs::PCSEnergy | virtual |
| 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, ScoreFunction const &, EnergyMap &totals) const override | protocols::nmr::pcs::PCSEnergy | virtual |
| get_pcs_data_from_pose(Pose &pose) const | protocols::nmr::pcs::PCSEnergy | |
| indicate_required_context_graphs(utility::vector1< bool > &) const override | protocols::nmr::pcs::PCSEnergy | virtual |
| method_type() const override | core::scoring::methods::WholeStructureEnergy | virtual |
| minimize_in_whole_structure_context(pose::Pose const &) const | core::scoring::methods::EnergyMethod | virtual |
| minimize_tensors(utility::vector1< Real > &tensor_params_for_optimization, utility::vector1< core::scoring::nmr::pcs::PCSSingleSetOP > &singlesets_for_optimization) const | protocols::nmr::pcs::PCSEnergy | private |
| parent typedef | core::scoring::methods::WholeStructureEnergy | |
| PCSData typedef | protocols::nmr::pcs::PCSEnergy | |
| PCSEnergy() | protocols::nmr::pcs::PCSEnergy | |
| PCSEnergy(PCSEnergy const &other) | protocols::nmr::pcs::PCSEnergy | |
| PCSMultiSet typedef | protocols::nmr::pcs::PCSEnergy | |
| Pose typedef | protocols::nmr::pcs::PCSEnergy | |
| 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 |
| Real typedef | protocols::nmr::pcs::PCSEnergy | |
| register_options() | protocols::nmr::pcs::PCSEnergy | private |
| requires_a_setup_for_scoring_for_residue_opportunity_during_regular_scoring(pose::Pose const &pose) const | core::scoring::methods::EnergyMethod | virtual |
| score_types() const | core::scoring::methods::EnergyMethod | inline |
| ScoreFunction typedef | protocols::nmr::pcs::PCSEnergy | |
| set_score_types(EnergyMethodCreatorOP creator) | core::scoring::methods::EnergyMethod | protected |
| setup_for_derivatives(pose::Pose &pose, ScoreFunction const &sfxn) const | core::scoring::methods::EnergyMethod | virtual |
| setup_for_minimizing(Pose &pose, ScoreFunction const &, core::kinematics::MinimizerMapBase const &) const override | protocols::nmr::pcs::PCSEnergy | virtual |
| setup_for_packing(pose::Pose &, utility::vector1< bool > const &, utility::vector1< bool > const &) const | core::scoring::methods::EnergyMethod | 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 &, ScoreFunction const &) const | core::scoring::methods::EnergyMethod | virtual |
| 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 &TR, Pose &pose, bool verbose=false) const override | protocols::nmr::pcs::PCSEnergy | virtual |
| Size typedef | protocols::nmr::pcs::PCSEnergy | |
| update_residue_for_packing(pose::Pose &, Size resid) const | core::scoring::methods::EnergyMethod | virtual |
| Vector typedef | protocols::nmr::pcs::PCSEnergy | |
| version() const override | protocols::nmr::pcs::PCSEnergy | virtual |
| WholeStructureEnergy(EnergyMethodCreatorOP) | core::scoring::methods::WholeStructureEnergy | |
| ~PCSEnergy() override | protocols::nmr::pcs::PCSEnergy | |
| ~WholeStructureEnergy() override | core::scoring::methods::WholeStructureEnergy | inline |
1.8.7