Rosetta Core  2014.35
core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy Member List

This is the complete list of members for core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy, including all inherited members.

__pad0__core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy
atom_type_set_ptr_core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyprivate
atomic_interaction_cutoff() const core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyvirtual
clone() const core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyvirtual
compute_grid_constant(hbonds::HBEvalTuple const &hbond_eval_type) const core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy
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::scoring::geometric_solvation::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::scoring::geometric_solvation::ExactOccludedHbondSolEnergy
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(EnergyMap const &) const core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyinlinevirtual
defines_score_for_residue(conformation::Residue const &) const core::scoring::methods::OneBodyEnergyvirtual
EnergyMethod(EnergyMethodCreatorOP creator)core::scoring::methods::EnergyMethod
EnergyMethod(EnergyMethod const &src)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
exact_occ_include_Hbond_contribution_core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyprivate
exact_occ_pairwise_core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyprivate
exact_occ_pairwise_by_res_core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyprivate
exact_occ_self_res_occ_core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyprivate
exact_occ_skip_Hbonders_core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyprivate
exact_occ_split_between_res_core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyprivate
ExactOccludedHbondSolEnergy(bool const exact_occ_skip_Hbonders=false, bool const exact_occ_include_Hbond_contribution=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::scoring::geometric_solvation::ExactOccludedHbondSolEnergy
ExactOccludedHbondSolEnergy(ExactOccludedHbondSolEnergy const &src)core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy
finalize_after_derivatives(pose::Pose &, ScoreFunction const &) const core::scoring::methods::EnergyMethodvirtual
finalize_total_energy(pose::Pose &pose, ScoreFunction const &sfxn, EnergyMap &total_energy) const core::scoring::methods::EnergyMethodvirtual
hb_database_core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyprivate
hbondoptions_core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyprivate
indicate_required_context_graphs(utility::vector1< bool > &) const core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyinlinevirtual
method_type() const core::scoring::methods::ContextDependentOneBodyEnergyvirtual
minimize_in_whole_structure_context(pose::Pose const &) const core::scoring::methods::EnergyMethodvirtual
occ_radius_scaling_core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyprivate
occluded_sites_core::scoring::geometric_solvation::ExactOccludedHbondSolEnergymutableprivate
OneBodyEnergy(EnergyMethodCreatorOP)core::scoring::methods::OneBodyEnergy
parent typedefcore::scoring::methods::ContextDependentOneBodyEnergy
prepare_rotamers_for_packing(pose::Pose const &, conformation::RotamerSetBase &) 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(pose::Pose const &pose) const core::scoring::methods::OneBodyEnergyvirtual
residue_energy(conformation::Residue const &polar_rsd, pose::Pose const &pose, EnergyMap &emap) const core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyvirtual
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, ScoreFunction const &) const core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyvirtual
setup_for_derivatives_for_residue(conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfxn, ResSingleMinimizationData &min_data) const core::scoring::methods::OneBodyEnergyvirtual
setup_for_minimizing(pose::Pose &pose, ScoreFunction const &, kinematics::MinimizerMapBase const &) const core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyvirtual
setup_for_minimizing_for_residue(conformation::Residue const &rsd, pose::Pose const &, ScoreFunction const &, kinematics::MinimizerMapBase const &, ResSingleMinimizationData &) const core::scoring::methods::OneBodyEnergyvirtual
setup_for_packing(pose::Pose &pose, utility::vector1< bool > const &, utility::vector1< bool > const &) const core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyvirtual
setup_for_scoring(pose::Pose &pose, ScoreFunction const &) const core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyvirtual
setup_for_scoring_for_residue(conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfxn, ResSingleMinimizationData &min_data) const core::scoring::methods::OneBodyEnergyvirtual
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::scoring::geometric_solvation::ExactOccludedHbondSolEnergyprivate
version() const core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyprivatevirtual
~EnergyMethod()core::scoring::methods::EnergyMethodvirtual
~ExactOccludedHbondSolEnergy()core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy
~OneBodyEnergy()core::scoring::methods::OneBodyEnergyvirtual