#include <RotData.hh>

Public Member Functions
void	set_twist (Real twist)

void	set_inter_rep (Real inter_rep)

void	set_inter_atr (Real inter_atr)

void	set_intra_rep (Real intra_rep)

void	set_intra_atr (Real intra_atr)

void	set_solvation (Real solvation)

Real	get_twist ()

Real	get_inter_rep ()

Real	get_inter_atr ()

Real	get_intra_rep ()

Real	get_intra_atr ()

Real	get_solvation ()

	RotData (Size NumChi, Size NumCluster)

void	set_phi (Real Phi)

void	set_psi (Real Psi)

void	set_omega (Real Omega)

void	set_min_omega (Real MinOmega)

void	set_epsilon (Real Epsilon)

void	set_min_epsilon (Real MinEpsilon)

Real	get_phi ()

Real	get_psi ()

Real	get_omega ()

Real	get_min_omega ()

Real	get_epsilon ()

Real	get_min_epsilon ()

void	set_energy (Real Energy)

Real	get_energy ()

void	set_probability (Real Probability)

Real	get_probability ()

void	set_num_chi (Size Num_Chi)

Size	get_num_chi ()

void	set_num_clusters (Size num)

Size	get_num_clusters ()

void	set_cluster_num (Size Cluster_Num)

Size	get_cluster_num ()

void	set_inp_chi (Real angle, Size num)

Real	get_inp_chi (Size num)

void	set_min_chi (Real angle, Size num)

Real	get_min_chi (Size num)

void	set_lib_chi_val (int val, Size num)

Real	get_lib_chi_val (Size num)

void	set_std_dev (Real STD, Size num)

Real	get_std_dev (Size num)

void	set_cen_dist (Real dist, Size num)

Real	get_cen_dist (Size num)

Size	get_min_cent_dist ()

Private Attributes
Real	phi_

Real	psi_

Real	omega_

Real	min_omega_

Real	epsilon_

Real	min_epsilon_

Real	energy_

Real	probability_

Size	num_chi_

Size	num_clusters_

Size	cluster_num_

vector1< Real >	inp_chi_

vector1< Real >	min_chi_

vector1< int >	lib_chi_val_

vector1< Real >	std_dev_

vector1< Real >	cen_dst_

Real	twist_

Real	inter_rep_

Real	inter_atr_

Real	intra_rep_

Real	intra_atr_

Real	solvation_

Constructor & Destructor Documentation

protocols::MakeRotLib::RotData::RotData	(	Size	NumChi,
		Size	NumCluster
	)

References cen_dst_, inp_chi_, lib_chi_val_, min_chi_, and std_dev_.

Member Function Documentation

Real protocols::MakeRotLib::RotData::get_cen_dist ( Size num )

inline

Referenced by protocols::MakeRotLib::pretty_print_rd().

Size protocols::MakeRotLib::RotData::get_cluster_num ( )

inline

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_energy ( )

inline

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_epsilon ( )

inline

Real protocols::MakeRotLib::RotData::get_inp_chi ( Size num )

inline

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_inter_atr ( )

inline

Real protocols::MakeRotLib::RotData::get_inter_rep ( )

inline

Real protocols::MakeRotLib::RotData::get_intra_atr ( )

inline

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_intra_rep ( )

inline

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_lib_chi_val ( Size num )

inline

Size protocols::MakeRotLib::RotData::get_min_cent_dist ( )

inline

References arg_min().

Real protocols::MakeRotLib::RotData::get_min_chi ( Size num )

inline

Referenced by protocols::MakeRotLib::calc_dist(), and protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_min_epsilon ( )

inline

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_min_omega ( )

inline

Referenced by protocols::MakeRotLib::pretty_print_rd().

Size protocols::MakeRotLib::RotData::get_num_chi ( )

inline

Referenced by protocols::MakeRotLib::calc_dist(), and protocols::MakeRotLib::pretty_print_rd().

Size protocols::MakeRotLib::RotData::get_num_clusters ( )

inline

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_omega ( )

inline

Real protocols::MakeRotLib::RotData::get_phi ( )

inline

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_probability ( )

inline

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_psi ( )

inline

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_solvation ( )

inline

Real protocols::MakeRotLib::RotData::get_std_dev ( Size num )

inline

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_twist ( )

inline

Referenced by protocols::MakeRotLib::pretty_print_rd().

void protocols::MakeRotLib::RotData::set_cen_dist	(	Real	dist,
		Size	num
	)

inline

void protocols::MakeRotLib::RotData::set_cluster_num ( Size Cluster_Num )

inline

void protocols::MakeRotLib::RotData::set_energy ( Real Energy )

inline

void protocols::MakeRotLib::RotData::set_epsilon ( Real Epsilon )

inline

void protocols::MakeRotLib::RotData::set_inp_chi	(	Real	angle,
		Size	num
	)

inline

References numeric::nonnegative_principal_angle_degrees().

Referenced by protocols::MakeRotLib::init_rotamers_centroids().

void protocols::MakeRotLib::RotData::set_inter_atr ( Real inter_atr )

inline

void protocols::MakeRotLib::RotData::set_inter_rep ( Real inter_rep )

inline

void protocols::MakeRotLib::RotData::set_intra_atr ( Real intra_atr )

inline

void protocols::MakeRotLib::RotData::set_intra_rep ( Real intra_rep )

inline

void protocols::MakeRotLib::RotData::set_lib_chi_val	(	int	val,
		Size	num
	)

inline

Referenced by protocols::MakeRotLib::init_rotamers_centroids().

void protocols::MakeRotLib::RotData::set_min_chi	(	Real	angle,
		Size	num
	)

inline

References numeric::nonnegative_principal_angle_degrees().

Referenced by protocols::MakeRotLib::init_rotamers_centroids().

void protocols::MakeRotLib::RotData::set_min_epsilon ( Real MinEpsilon )

inline

void protocols::MakeRotLib::RotData::set_min_omega ( Real MinOmega )

inline

void protocols::MakeRotLib::RotData::set_num_chi ( Size Num_Chi )

inline

void protocols::MakeRotLib::RotData::set_num_clusters ( Size num )

inline

void protocols::MakeRotLib::RotData::set_omega ( Real Omega )

inline

void protocols::MakeRotLib::RotData::set_phi ( Real Phi )

inline

void protocols::MakeRotLib::RotData::set_probability ( Real Probability )

inline

void protocols::MakeRotLib::RotData::set_psi ( Real Psi )

inline

void protocols::MakeRotLib::RotData::set_solvation ( Real solvation )

inline

void protocols::MakeRotLib::RotData::set_std_dev	(	Real	STD,
		Size	num
	)

inline

void protocols::MakeRotLib::RotData::set_twist ( Real twist )

inline

Member Data Documentation

vector1<Real> protocols::MakeRotLib::RotData::cen_dst_

private

Referenced by RotData().

Size protocols::MakeRotLib::RotData::cluster_num_

private

Real protocols::MakeRotLib::RotData::energy_

private

Real protocols::MakeRotLib::RotData::epsilon_

private

vector1<Real> protocols::MakeRotLib::RotData::inp_chi_

private

Referenced by RotData().

Real protocols::MakeRotLib::RotData::inter_atr_

private

Real protocols::MakeRotLib::RotData::inter_rep_

private

Real protocols::MakeRotLib::RotData::intra_atr_

private

Real protocols::MakeRotLib::RotData::intra_rep_

private

vector1<int> protocols::MakeRotLib::RotData::lib_chi_val_

private

Referenced by RotData().

vector1<Real> protocols::MakeRotLib::RotData::min_chi_

private

Referenced by RotData().

Real protocols::MakeRotLib::RotData::min_epsilon_

private

Real protocols::MakeRotLib::RotData::min_omega_

private

Size protocols::MakeRotLib::RotData::num_chi_

private

Size protocols::MakeRotLib::RotData::num_clusters_

private

Real protocols::MakeRotLib::RotData::omega_

private

Real protocols::MakeRotLib::RotData::phi_

private

Real protocols::MakeRotLib::RotData::probability_

private

Real protocols::MakeRotLib::RotData::psi_

private

Real protocols::MakeRotLib::RotData::solvation_

private

vector1<Real> protocols::MakeRotLib::RotData::std_dev_

private

Referenced by RotData().

Real protocols::MakeRotLib::RotData::twist_

private

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

symlinks/rosetta/src/protocols/make_rot_lib/RotData.hh
symlinks/rosetta/src/protocols/make_rot_lib/RotData.cc

Public Member Functions

Private Attributes

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation