Rosetta  2021.16
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Public Member Functions | Private Member Functions | Private Attributes | Friends | List of all members
protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2 Class Reference

#include <PseudocontactShiftEnergy.hh>

Inheritance diagram for protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2:
Inheritance graph
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Public Member Functions

void set_vector_exclude_residues (utility::vector1< core::Size > const vec_exclude)
 
void remove_vector_exclude_residues ()
 
bool has_exclude_residues_vector ()
 
bool has_exclude_residues_vector_changed ()
 
void exclude_residues_vector_is_current ()
 
utility::vector1< boolget_vector_exclude_residues ()
 
void set_vector_name_and_weight (utility::vector1< std::string > const vec_filename, utility::vector1< core::Real > const vec_individual_weight)
 
void set_grid_param (core::Real const grid_edge, core::Real const grid_step, core::Real const grid_small_cutoff, core::Real const grid_large_cutoff, core::Real const grid_cone_angle_cutoff, std::string const grid_atom_name_1, std::string const grid_atom_name_2, core::SSize const grid_residue_num_1, core::SSize const grid_residue_num_2, core::Real const grid_k_vector, bool const minimize_best_tensor, core::Real const pcs_weight)
 
void print_grid_param () const
 
core::Real get_grid_edge () const
 
core::Real get_grid_step () const
 
core::Real get_grid_small_cutoff () const
 
core::Real get_grid_large_cutoff () const
 
core::Real get_grid_cone_angle_cutoff () const
 
std::string get_grid_atom_name_1 () const
 
std::string get_grid_atom_name_2 () const
 
core::Size get_grid_residue_num_1 () const
 
core::Size get_grid_residue_num_2 () const
 
core::Real get_grid_k_vector () const
 
bool get_minimize_best_tensor () const
 
core::Real get_pcs_weight () const
 
utility::vector1< std::string >
const & 
get_vector_filename () const
 
utility::vector1< core::Real >
const & 
get_vector_weight () const
 

Private Member Functions

 PCS_Energy_parameters_manager_Ts2 ()
 

Private Attributes

core::Real grid_edge_
 
core::Real grid_step_
 
core::Real grid_small_cutoff_
 
core::Real grid_large_cutoff_
 
core::Real grid_cone_angle_cutoff_
 
std::string grid_atom_name_1_
 
std::string grid_atom_name_2_
 
core::Size grid_residue_num_1_
 
core::Size grid_residue_num_2_
 
core::Real grid_k_vector_
 
bool minimize_best_tensor_
 
core::Real pcs_weight_
 
utility::vector1< std::string > vec_filename_
 
utility::vector1< core::Realvec_individual_weight_
 
utility::vector1< boolvec_exclude_residues_
 
bool vec_exclude_residues_exists_
 
bool vec_exclude_residues_changed_
 

Friends

class utility::SingletonBase< PCS_Energy_parameters_manager_Ts2 >
 

Constructor & Destructor Documentation

protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::PCS_Energy_parameters_manager_Ts2 ( )
private

Member Function Documentation

void protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::exclude_residues_vector_is_current ( )
std::string protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::get_grid_atom_name_1 ( ) const
std::string protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::get_grid_atom_name_2 ( ) const
core::Real protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::get_grid_cone_angle_cutoff ( ) const
core::Real protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::get_grid_edge ( ) const
core::Real protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::get_grid_k_vector ( ) const
core::Real protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::get_grid_large_cutoff ( ) const
core::Size protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::get_grid_residue_num_1 ( ) const
core::Size protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::get_grid_residue_num_2 ( ) const
core::Real protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::get_grid_small_cutoff ( ) const
core::Real protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::get_grid_step ( ) const
bool protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::get_minimize_best_tensor ( ) const
core::Real protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::get_pcs_weight ( ) const
utility::vector1< bool > protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::get_vector_exclude_residues ( )
utility::vector1< std::string > const & protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::get_vector_filename ( ) const
utility::vector1< core::Real > const & protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::get_vector_weight ( ) const
bool protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::has_exclude_residues_vector ( )
bool protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::has_exclude_residues_vector_changed ( )
void protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::print_grid_param ( ) const
void protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::remove_vector_exclude_residues ( )
void protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::set_grid_param ( core::Real const  grid_edge,
core::Real const  grid_step,
core::Real const  grid_small_cutoff,
core::Real const  grid_large_cutoff,
core::Real const  grid_cone_angle_cutoff,
std::string const  grid_atom_name_1,
std::string const  grid_atom_name_2,
core::SSize const  grid_residue_num_1,
core::SSize const  grid_residue_num_2,
core::Real const  grid_k_vector,
bool const  minimize_best_tensor,
core::Real const  pcs_weight 
)
void protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::set_vector_exclude_residues ( utility::vector1< core::Size > const  vec_exclude)
void protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::set_vector_name_and_weight ( utility::vector1< std::string > const  vec_filename,
utility::vector1< core::Real > const  vec_individual_weight 
)

Friends And Related Function Documentation

friend class utility::SingletonBase< PCS_Energy_parameters_manager_Ts2 >
friend

Member Data Documentation

std::string protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::grid_atom_name_1_
private
std::string protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::grid_atom_name_2_
private
core::Real protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::grid_cone_angle_cutoff_
private
core::Real protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::grid_edge_
private
core::Real protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::grid_k_vector_
private
core::Real protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::grid_large_cutoff_
private
core::Size protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::grid_residue_num_1_
private
core::Size protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::grid_residue_num_2_
private
core::Real protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::grid_small_cutoff_
private
core::Real protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::grid_step_
private
bool protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::minimize_best_tensor_
private
core::Real protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::pcs_weight_
private
utility::vector1< bool > protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::vec_exclude_residues_
private
bool protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::vec_exclude_residues_changed_
private
bool protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::vec_exclude_residues_exists_
private
utility::vector1<std::string> protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::vec_filename_
private
utility::vector1<core::Real> protocols::scoring::methods::pcsTs2::PCS_Energy_parameters_manager_Ts2::vec_individual_weight_
private

The documentation for this class was generated from the following files: