protocols::scoring::methods::pcs::PCS_Energy_parameters_manager Class Reference

#include <PseudocontactShiftEnergy.hh>

Collaboration diagram for protocols::scoring::methods::pcs::PCS_Energy_parameters_manager:

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< bool >	get_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

Static Public Member Functions
static PCS_Energy_parameters_manager *	get_instance ()

Private Member Functions
	PCS_Energy_parameters_manager ()

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::Real >	vec_individual_weight_
utility::vector1< bool >	vec_exclude_residues_
bool	vec_exclude_residues_exists_
bool	vec_exclude_residues_changed_

Static Private Attributes
static PCS_Energy_parameters_manager *	instance_

Detailed Description

Definition at line 134 of file PseudocontactShiftEnergy.hh.

Constructor & Destructor Documentation

protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::PCS_Energy_parameters_manager ( )

private

Definition at line 566 of file PseudocontactShiftEnergy.cc.

Member Function Documentation

void protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::exclude_residues_vector_is_current

(

)

Definition at line 653 of file PseudocontactShiftEnergy.cc.

Referenced by protocols::scoring::methods::pcs::PCS_Energy::PCS_data_from_pose().

std::string protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::get_grid_atom_name_1

(

)

const

Definition at line 751 of file PseudocontactShiftEnergy.cc.

std::string protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::get_grid_atom_name_2

(

)

const

Definition at line 756 of file PseudocontactShiftEnergy.cc.

core::Real protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::get_grid_cone_angle_cutoff

(

)

const

Definition at line 746 of file PseudocontactShiftEnergy.cc.

core::Real protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::get_grid_edge

(

)

const

Definition at line 726 of file PseudocontactShiftEnergy.cc.

core::Real protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::get_grid_k_vector

(

)

const

Definition at line 771 of file PseudocontactShiftEnergy.cc.

core::Real protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::get_grid_large_cutoff

(

)

const

Definition at line 741 of file PseudocontactShiftEnergy.cc.

core::Size protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::get_grid_residue_num_1

(

)

const

Definition at line 761 of file PseudocontactShiftEnergy.cc.

core::Size protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::get_grid_residue_num_2

(

)

const

Definition at line 766 of file PseudocontactShiftEnergy.cc.

core::Real protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::get_grid_small_cutoff

(

)

const

Definition at line 736 of file PseudocontactShiftEnergy.cc.

core::Real protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::get_grid_step

(

)

const

Definition at line 731 of file PseudocontactShiftEnergy.cc.

PCS_Energy_parameters_manager * protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::get_instance ( )

static

Definition at line 559 of file PseudocontactShiftEnergy.cc.

Referenced by protocols::scoring::methods::pcs::PCS_Energy::calculate_pcs_score(), protocols::scoring::methods::pcs::PCS_Energy::calculate_scores_and_tensors_from_pose_and_PCS_data(), and protocols::scoring::methods::pcs::PCS_Energy::PCS_data_from_pose().

bool protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::get_minimize_best_tensor

(

)

const

Definition at line 776 of file PseudocontactShiftEnergy.cc.

Referenced by protocols::scoring::methods::pcs::PCS_Energy::calculate_pcs_score().

core::Real protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::get_pcs_weight

(

)

const

Definition at line 781 of file PseudocontactShiftEnergy.cc.

utility::vector1< bool > protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::get_vector_exclude_residues

(

)

Definition at line 648 of file PseudocontactShiftEnergy.cc.

Referenced by protocols::scoring::methods::pcs::PCS_Energy::PCS_data_from_pose().

utility::vector1< std::string > const & protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::get_vector_filename

(

)

const

Definition at line 786 of file PseudocontactShiftEnergy.cc.

Referenced by protocols::scoring::methods::pcs::PCS_Energy::PCS_data_from_pose().

utility::vector1< core::Real > const & protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::get_vector_weight

(

)

const

Definition at line 791 of file PseudocontactShiftEnergy.cc.

Referenced by protocols::scoring::methods::pcs::PCS_Energy::PCS_data_from_pose().

bool protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::has_exclude_residues_vector

(

)

Definition at line 637 of file PseudocontactShiftEnergy.cc.

Referenced by protocols::scoring::methods::pcs::PCS_Energy::PCS_data_from_pose().

bool protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::has_exclude_residues_vector_changed

(

)

Definition at line 642 of file PseudocontactShiftEnergy.cc.

Referenced by protocols::scoring::methods::pcs::PCS_Energy::PCS_data_from_pose().

void protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::print_grid_param

(

)

const

Definition at line 704 of file PseudocontactShiftEnergy.cc.

void protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::remove_vector_exclude_residues

(

)

Definition at line 629 of file PseudocontactShiftEnergy.cc.

void protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::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
	)

Definition at line 669 of file PseudocontactShiftEnergy.cc.

void protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::set_vector_exclude_residues

(

utility::vector1< core::Size > const

vec_exclude)

Definition at line 599 of file PseudocontactShiftEnergy.cc.

void protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::set_vector_name_and_weight	(	utility::vector1< std::string > const	vec_filename,
		utility::vector1< core::Real > const	vec_individual_weight
	)

Definition at line 661 of file PseudocontactShiftEnergy.cc.

Member Data Documentation

std::string protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::grid_atom_name_1_

private

Definition at line 150 of file PseudocontactShiftEnergy.hh.

std::string protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::grid_atom_name_2_

private

Definition at line 151 of file PseudocontactShiftEnergy.hh.

core::Real protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::grid_cone_angle_cutoff_

private

Definition at line 149 of file PseudocontactShiftEnergy.hh.

core::Real protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::grid_edge_

private

Definition at line 145 of file PseudocontactShiftEnergy.hh.

core::Real protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::grid_k_vector_

private

Definition at line 154 of file PseudocontactShiftEnergy.hh.

core::Real protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::grid_large_cutoff_

private

Definition at line 148 of file PseudocontactShiftEnergy.hh.

core::Size protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::grid_residue_num_1_

private

Definition at line 152 of file PseudocontactShiftEnergy.hh.

core::Size protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::grid_residue_num_2_

private

Definition at line 153 of file PseudocontactShiftEnergy.hh.

core::Real protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::grid_small_cutoff_

private

Definition at line 147 of file PseudocontactShiftEnergy.hh.

core::Real protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::grid_step_

private

Definition at line 146 of file PseudocontactShiftEnergy.hh.

PCS_Energy_parameters_manager * protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::instance_

staticprivate

Definition at line 141 of file PseudocontactShiftEnergy.hh.

bool protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::minimize_best_tensor_

private

Definition at line 155 of file PseudocontactShiftEnergy.hh.

core::Real protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::pcs_weight_

private

Definition at line 156 of file PseudocontactShiftEnergy.hh.

utility::vector1< bool > protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::vec_exclude_residues_

private

Definition at line 160 of file PseudocontactShiftEnergy.hh.

bool protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::vec_exclude_residues_changed_

private

Definition at line 162 of file PseudocontactShiftEnergy.hh.

bool protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::vec_exclude_residues_exists_

private

Definition at line 161 of file PseudocontactShiftEnergy.hh.

utility::vector1<std::string> protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::vec_filename_

private

Definition at line 157 of file PseudocontactShiftEnergy.hh.

utility::vector1<core::Real> protocols::scoring::methods::pcs::PCS_Energy_parameters_manager::vec_individual_weight_

private

Definition at line 158 of file PseudocontactShiftEnergy.hh.

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

• src/protocols/scoring/methods/pcs/PseudocontactShiftEnergy.hh
• src/protocols/scoring/methods/pcs/PseudocontactShiftEnergy.cc