Rosetta  2021.16
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core::energy_methods::OccludedHbondSolEnergy_onebody Member List

This is the complete list of members for core::energy_methods::OccludedHbondSolEnergy_onebody, including all inherited members.

atom_is_acceptor(conformation::Residue const &rsd, Size const atom) const core::energy_methods::OccludedHbondSolEnergy_onebodyprivate
atom_is_donor_h(conformation::Residue const &rsd, Size const atom) const core::energy_methods::OccludedHbondSolEnergy_onebodyprivate
atom_is_valid_base(conformation::Residue const &rsd, Size const atom) const core::energy_methods::OccludedHbondSolEnergy_onebodyprivate
atomic_interaction_cutoff() const core::energy_methods::OccludedHbondSolEnergy_onebodyvirtual
atoms_with_dof_derivatives(conformation::Residue const &res, pose::Pose const &pose) const core::scoring::methods::OneBodyEnergyvirtual
clone() const overridecore::energy_methods::OccludedHbondSolEnergy_onebodyvirtual
ContextDependentOneBodyEnergy(EnergyMethodCreatorOP)core::scoring::methods::ContextDependentOneBodyEnergy
defines_dof_derivatives(pose::Pose const &p) const core::scoring::methods::OneBodyEnergyvirtual
defines_high_order_terms(pose::Pose const &) const core::scoring::methods::EnergyMethodvirtual
defines_intrares_energy(core::scoring::EnergyMap const &) const core::energy_methods::OccludedHbondSolEnergy_onebodyinlinevirtual
defines_score_for_residue(conformation::Residue const &) const core::scoring::methods::OneBodyEnergyvirtual
EnergyMethod(EnergyMethodCreatorOP creator)core::scoring::methods::EnergyMethod
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::EnergyMethodvirtual
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::OneBodyEnergyvirtual
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::OneBodyEnergyvirtual
finalize_after_derivatives(pose::Pose &, ScoreFunction const &) const core::scoring::methods::EnergyMethodvirtual
finalize_after_minimizing(pose::Pose &pose) const core::scoring::methods::EnergyMethodvirtual
finalize_total_energy(pose::Pose &pose, ScoreFunction const &sfxn, EnergyMap &total_energy) const core::scoring::methods::EnergyMethodvirtual
get_atom_atom_occ_solvation(Size const don_h_atom, Size const don_base_atom, conformation::Residue const &don_rsd, Size const occ_atom, conformation::Residue const &occ_rsd, Real &energy) const core::energy_methods::OccludedHbondSolEnergy_onebodyprivate
get_cos_angle(Vector const &base_atom_xyz, Vector const &polar_atom_xyz, Vector const &occluding_atom_xyz) const core::energy_methods::OccludedHbondSolEnergy_onebodyprivate
indicate_required_context_graphs(utility::vector1< bool > &) const overridecore::energy_methods::OccludedHbondSolEnergy_onebodyinlinevirtual
method_type() const overridecore::scoring::methods::ContextDependentOneBodyEnergyvirtual
minimize_in_whole_structure_context(pose::Pose const &) const core::scoring::methods::EnergyMethodvirtual
occ_hbond_sol_database_core::energy_methods::OccludedHbondSolEnergy_onebodyprivate
OccludedHbondSolEnergy_onebody(core::scoring::methods::EnergyMethodOptions const &options, bool const verbose=false)core::energy_methods::OccludedHbondSolEnergy_onebody
OccludedHbondSolEnergy_onebody(OccludedHbondSolEnergy_onebody const &src)core::energy_methods::OccludedHbondSolEnergy_onebody
OneBodyEnergy(EnergyMethodCreatorOP)core::scoring::methods::OneBodyEnergy
parent typedefcore::energy_methods::OccludedHbondSolEnergy_onebody
prepare_rotamers_for_packing(pose::Pose const &, conformation::RotamerSetBase &) const core::scoring::methods::EnergyMethodvirtual
provide_citation_info(basic::citation_manager::CitationCollectionList &) const core::scoring::methods::EnergyMethodvirtual
requires_a_setup_for_derivatives_for_residue_opportunity(pose::Pose const &pose) const core::scoring::methods::OneBodyEnergyvirtual
requires_a_setup_for_scoring_for_residue_opportunity_during_minimization(pose::Pose const &pose) const core::scoring::methods::OneBodyEnergyvirtual
requires_a_setup_for_scoring_for_residue_opportunity_during_regular_scoring(pose::Pose const &pose) const core::scoring::methods::EnergyMethodvirtual
res_res_occ_sol_one_way(conformation::Residue const &polar_rsd, conformation::Residue const &occ_rsd) const core::energy_methods::OccludedHbondSolEnergy_onebodyprivate
residue_energy(conformation::Residue const &polar_rsd, pose::Pose const &pose, core::scoring::EnergyMap &emap) const overridecore::energy_methods::OccludedHbondSolEnergy_onebodyvirtual
residue_energy_ext(conformation::Residue const &rsd, ResSingleMinimizationData const &min_data, pose::Pose const &pose, EnergyMap &emap) const core::scoring::methods::OneBodyEnergyvirtual
score_types() const core::scoring::methods::EnergyMethodinline
set_score_types(EnergyMethodCreatorOP creator)core::scoring::methods::EnergyMethodprotected
setup_for_derivatives(pose::Pose &pose, core::scoring::ScoreFunction const &) const overridecore::energy_methods::OccludedHbondSolEnergy_onebodyvirtual
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::OneBodyEnergyvirtual
setup_for_minimizing(pose::Pose &pose, core::scoring::ScoreFunction const &, kinematics::MinimizerMapBase const &) const overridecore::energy_methods::OccludedHbondSolEnergy_onebodyvirtual
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::OneBodyEnergyvirtual
setup_for_packing(pose::Pose &pose, utility::vector1< bool > const &, utility::vector1< bool > const &) const overridecore::energy_methods::OccludedHbondSolEnergy_onebodyvirtual
setup_for_packing_with_rotsets(pose::Pose &pose, pack_basic::RotamerSetsBaseOP const &rotsets, ScoreFunction const &sfxn) const core::scoring::methods::EnergyMethodvirtual
setup_for_scoring(pose::Pose &pose, core::scoring::ScoreFunction const &) const overridecore::energy_methods::OccludedHbondSolEnergy_onebodyvirtual
setup_for_scoring_for_residue(conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfxn, ResSingleMinimizationData &min_data) const core::scoring::methods::OneBodyEnergyvirtual
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::EnergyMethodvirtual
show_additional_info(std::ostream &, pose::Pose &, bool) const core::scoring::methods::EnergyMethodvirtual
update_residue_for_packing(pose::Pose &, Size resid) const core::scoring::methods::EnergyMethodvirtual
use_extended_residue_energy_interface() const core::scoring::methods::OneBodyEnergyvirtual
verbose_core::energy_methods::OccludedHbondSolEnergy_onebodyprivate
version() const overridecore::energy_methods::OccludedHbondSolEnergy_onebodyprivatevirtual
~OneBodyEnergy() overridecore::scoring::methods::OneBodyEnergy