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non_scorefxn_exact_model.hh File Reference
#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/hbonds/types.hh>
#include <core/scoring/etable/Etable.fwd.hh>
#include <core/scoring/geometric_solvation/ExactOccludedHbondSolEnergy.hh>
#include <map>

Namespaces

 core
 A class for defining atom parameters, known as atom_types.
 
 core::scoring
 
 core::scoring::geometric_solvation
 

Constant Groups

 core
 A class for defining atom parameters, known as atom_types.
 
 core::scoring
 
 core::scoring::geometric_solvation
 

Functions

void core::scoring::geometric_solvation::add_to_individual_sol_energies (pose::Pose &input_pose, core::Size const polar_resnum, core::Size const polar_atomno, core::scoring::etable::EtableOP etable_ptr, GridInfo const &grid_info, core::Real const &grid_constant, std::vector< std::vector< std::vector< core::Real > > > const &water_weights, std::vector< std::vector< std::vector< bool > > > &occluded_sites, bool const hydrogens_can_occlude, bool const pairwise_additive, bool const pairwise_additive_output, utility::vector1< core::Real > &residue_energies)
 
core::Real core::scoring::geometric_solvation::compute_exact_geosol (pose::Pose &input_pose, bool const hydrogens_can_occlude, bool const pairwise_additive, bool const pairwise_additive_output, utility::vector1< core::Real > &residue_energies)