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protocols::make_rot_lib::RotData Class Reference

#include <RotData.hh>

Public Member Functions

void set_semi_energy_dist (core::Size i, core::Real setting)
 
void set_semi_prob_dist (core::Size i, core::Real setting)
 
void resize_semi_vectors (core::Size i)
 
void set_twist (core::Real twist)
 
void set_inter_rep (core::Real inter_rep)
 
void set_inter_atr (core::Real inter_atr)
 
void set_intra_rep (core::Real intra_rep)
 
void set_intra_atr (core::Real intra_atr)
 
void set_solvation (core::Real solvation)
 
bool get_semirotameric ()
 
core::Real get_semi_prob_dist (core::Size i)
 
core::Real get_semi_energy_dist (core::Size i)
 
core::Real get_twist ()
 
core::Real get_inter_rep ()
 
core::Real get_inter_atr ()
 
core::Real get_intra_rep ()
 
core::Real get_intra_atr ()
 
core::Real get_solvation ()
 
 RotData (core::Size NumChi, core::Size NumCluster)
 
 RotData (core::Size NumChi, core::Size NumCluster, bool semirotameric)
 
 RotData (core::Size NumChi, core::Size NumBBs, core::Size NumCluster)
 
 RotData (core::Size NumChi, core::Size NumBBs, core::Size NumCluster, bool semirotameric)
 
void set_bb (core::Size i, core::Real BB)
 
void set_bb_id (core::Size i, core::Size bbid)
 
void set_phi (core::Real Phi)
 
void set_psi (core::Real Psi)
 
void set_omg (core::Real Omega)
 
void set_min_omg (core::Real MinOmega)
 
void set_eps (core::Real Epsilon)
 
void set_min_eps (core::Real MinEpsilon)
 
void set_num_bbs (core::Size i)
 
core::Size get_num_bbs ()
 
utility::vector1< core::Realget_bbs ()
 
void resize_bbs (core::Size i)
 
void resize_bb_ids (core::Size i)
 
core::Real get_bb (core::Size i)
 
core::Size get_bb_id (core::Size i)
 
core::Real get_phi ()
 
core::Real get_psi ()
 
core::Real get_omg ()
 
core::Real get_min_omg ()
 
core::Real get_eps ()
 
core::Real get_min_eps ()
 
void set_energy (core::Real Energy)
 
core::Real get_energy ()
 
void set_probability (core::Real Probability)
 
core::Real get_probability ()
 
void set_num_chi (core::Size Num_Chi)
 
core::Size get_num_chi ()
 
void set_num_clusters (core::Size num)
 
core::Size get_num_clusters ()
 
void set_cluster_num (core::Size Cluster_Num)
 
core::Size get_cluster_num ()
 
void set_inp_chi (core::Real angle, core::Size num)
 
core::Real get_inp_chi (core::Size num)
 
void set_min_chi (core::Real angle, core::Size num)
 
core::Real get_min_chi (core::Size num)
 
void set_lib_chi_val (core::Size val, core::Size num)
 
core::Size get_lib_chi_val (core::Size num)
 
void set_std_dev (core::Real STD, core::Size num)
 
core::Real get_std_dev (core::Size num)
 
void set_cen_dist (core::Real dist, core::Size num)
 
core::Real get_cen_dist (core::Size num)
 
core::Size get_min_cent_dist ()
 
void show (std::ostream &out) const
 Output function, primarily for debugging purposes. More...
 
bool load (std::istream &in)
 input function, primarily for debugging purposes. More...
 

Private Attributes

utility::vector1< core::Realbbs_
 
utility::vector1< core::Sizebb_ids_
 
core::Size num_bbs_
 
core::Real omega_
 
core::Real min_omega_
 
core::Real epsilon_
 
core::Real min_epsilon_
 
core::Real energy_
 
core::Real probability_
 
core::Size num_chi_
 
core::Size num_clusters_
 
core::Size cluster_num_
 
utility::vector1< core::Realsemi_energy_dist_
 
utility::vector1< core::Realsemi_prob_dist_
 
utility::vector1< core::Realinp_chi_
 
utility::vector1< core::Realmin_chi_
 
utility::vector1< core::Sizelib_chi_val_
 
utility::vector1< core::Realstd_dev_
 
utility::vector1< core::Realcen_dst_
 
core::Real twist_
 
core::Real inter_rep_
 
core::Real inter_atr_
 
core::Real intra_rep_
 
core::Real intra_atr_
 
core::Real solvation_
 
bool semirotameric_
 

Friends

bool operator== (RotData &r1, RotData &r2)
 

Constructor & Destructor Documentation

protocols::make_rot_lib::RotData::RotData ( core::Size  NumChi,
core::Size  NumCluster 
)
protocols::make_rot_lib::RotData::RotData ( core::Size  NumChi,
core::Size  NumCluster,
bool  semirotameric 
)
protocols::make_rot_lib::RotData::RotData ( core::Size  NumChi,
core::Size  NumBBs,
core::Size  NumCluster 
)
protocols::make_rot_lib::RotData::RotData ( core::Size  NumChi,
core::Size  NumBBs,
core::Size  NumCluster,
bool  semirotameric 
)

Member Function Documentation

core::Real protocols::make_rot_lib::RotData::get_bb ( core::Size  i)
inline
core::Size protocols::make_rot_lib::RotData::get_bb_id ( core::Size  i)
inline

References bb_ids_.

Referenced by protocols::make_rot_lib::operator==().

utility::vector1< core::Real > protocols::make_rot_lib::RotData::get_bbs ( )
inline

References bbs_.

Referenced by protocols::make_rot_lib::operator==().

core::Real protocols::make_rot_lib::RotData::get_cen_dist ( core::Size  num)
inline
core::Size protocols::make_rot_lib::RotData::get_cluster_num ( )
inline
core::Real protocols::make_rot_lib::RotData::get_energy ( )
inline
core::Real protocols::make_rot_lib::RotData::get_eps ( )
inline
core::Real protocols::make_rot_lib::RotData::get_inp_chi ( core::Size  num)
inline
core::Real protocols::make_rot_lib::RotData::get_inter_atr ( )
inline

References inter_atr_.

core::Real protocols::make_rot_lib::RotData::get_inter_rep ( )
inline

References inter_rep_.

core::Real protocols::make_rot_lib::RotData::get_intra_atr ( )
inline
core::Real protocols::make_rot_lib::RotData::get_intra_rep ( )
inline
core::Size protocols::make_rot_lib::RotData::get_lib_chi_val ( core::Size  num)
inline
core::Size protocols::make_rot_lib::RotData::get_min_cent_dist ( )
inline
core::Real protocols::make_rot_lib::RotData::get_min_chi ( core::Size  num)
inline
core::Real protocols::make_rot_lib::RotData::get_min_eps ( )
inline
core::Real protocols::make_rot_lib::RotData::get_min_omg ( )
inline
core::Size protocols::make_rot_lib::RotData::get_num_bbs ( )
inline
core::Size protocols::make_rot_lib::RotData::get_num_chi ( )
inline
core::Size protocols::make_rot_lib::RotData::get_num_clusters ( )
inline
core::Real protocols::make_rot_lib::RotData::get_omg ( )
inline
core::Real protocols::make_rot_lib::RotData::get_phi ( )
inline

References bbs_.

core::Real protocols::make_rot_lib::RotData::get_probability ( )
inline
core::Real protocols::make_rot_lib::RotData::get_psi ( )
inline

References bbs_.

core::Real protocols::make_rot_lib::RotData::get_semi_energy_dist ( core::Size  i)
inline
core::Real protocols::make_rot_lib::RotData::get_semi_prob_dist ( core::Size  i)
inline
bool protocols::make_rot_lib::RotData::get_semirotameric ( )
inline
core::Real protocols::make_rot_lib::RotData::get_solvation ( )
inline

References solvation_.

core::Real protocols::make_rot_lib::RotData::get_std_dev ( core::Size  num)
inline
core::Real protocols::make_rot_lib::RotData::get_twist ( )
inline
bool protocols::make_rot_lib::RotData::load ( std::istream &  in)

input function, primarily for debugging purposes.

Return true on failure.

References bbs_, cen_dst_, cluster_num_, energy_, epsilon_, inp_chi_, lib_chi_val_, min_chi_, min_epsilon_, min_omega_, num_bbs_, num_chi_, num_clusters_, omega_, probability_, std_dev_, and protocols::make_rot_lib::TR().

void protocols::make_rot_lib::RotData::resize_bb_ids ( core::Size  i)
inline

References bb_ids_.

void protocols::make_rot_lib::RotData::resize_bbs ( core::Size  i)
inline

References bbs_.

void protocols::make_rot_lib::RotData::resize_semi_vectors ( core::Size  i)
inline
void protocols::make_rot_lib::RotData::set_bb ( core::Size  i,
core::Real  BB 
)
inline

References core::id::BB, and bbs_.

void protocols::make_rot_lib::RotData::set_bb_id ( core::Size  i,
core::Size  bbid 
)
inline

References bb_ids_.

void protocols::make_rot_lib::RotData::set_cen_dist ( core::Real  dist,
core::Size  num 
)
inline

References cen_dst_.

void protocols::make_rot_lib::RotData::set_cluster_num ( core::Size  Cluster_Num)
inline

References cluster_num_.

void protocols::make_rot_lib::RotData::set_energy ( core::Real  Energy)
inline
void protocols::make_rot_lib::RotData::set_eps ( core::Real  Epsilon)
inline

References epsilon_.

void protocols::make_rot_lib::RotData::set_inp_chi ( core::Real  angle,
core::Size  num 
)
inline

References inp_chi_.

void protocols::make_rot_lib::RotData::set_inter_atr ( core::Real  inter_atr)
inline
void protocols::make_rot_lib::RotData::set_inter_rep ( core::Real  inter_rep)
inline
void protocols::make_rot_lib::RotData::set_intra_atr ( core::Real  intra_atr)
inline
void protocols::make_rot_lib::RotData::set_intra_rep ( core::Real  intra_rep)
inline
void protocols::make_rot_lib::RotData::set_lib_chi_val ( core::Size  val,
core::Size  num 
)
inline
void protocols::make_rot_lib::RotData::set_min_chi ( core::Real  angle,
core::Size  num 
)
inline
void protocols::make_rot_lib::RotData::set_min_eps ( core::Real  MinEpsilon)
inline
void protocols::make_rot_lib::RotData::set_min_omg ( core::Real  MinOmega)
inline
void protocols::make_rot_lib::RotData::set_num_bbs ( core::Size  i)
inline

References num_bbs_.

void protocols::make_rot_lib::RotData::set_num_chi ( core::Size  Num_Chi)
inline

References num_chi_.

void protocols::make_rot_lib::RotData::set_num_clusters ( core::Size  num)
inline

References num_clusters_.

void protocols::make_rot_lib::RotData::set_omg ( core::Real  Omega)
inline

References omega_.

void protocols::make_rot_lib::RotData::set_phi ( core::Real  Phi)
inline

References bbs_.

void protocols::make_rot_lib::RotData::set_probability ( core::Real  Probability)
inline

References probability_.

void protocols::make_rot_lib::RotData::set_psi ( core::Real  Psi)
inline

References bbs_.

void protocols::make_rot_lib::RotData::set_semi_energy_dist ( core::Size  i,
core::Real  setting 
)
inline
void protocols::make_rot_lib::RotData::set_semi_prob_dist ( core::Size  i,
core::Real  setting 
)
inline
void protocols::make_rot_lib::RotData::set_solvation ( core::Real  solvation)
inline
void protocols::make_rot_lib::RotData::set_std_dev ( core::Real  STD,
core::Size  num 
)
inline

References std_dev_.

void protocols::make_rot_lib::RotData::set_twist ( core::Real  twist)
inline
void protocols::make_rot_lib::RotData::show ( std::ostream &  out) const

Friends And Related Function Documentation

bool operator== ( RotData r1,
RotData r2 
)
friend

Member Data Documentation

utility::vector1<core::Size> protocols::make_rot_lib::RotData::bb_ids_
private
utility::vector1<core::Real> protocols::make_rot_lib::RotData::bbs_
private
utility::vector1< core::Real > protocols::make_rot_lib::RotData::cen_dst_
private
core::Size protocols::make_rot_lib::RotData::cluster_num_
private
core::Real protocols::make_rot_lib::RotData::energy_
private

Referenced by get_energy(), load(), set_energy(), and show().

core::Real protocols::make_rot_lib::RotData::epsilon_
private

Referenced by get_eps(), load(), set_eps(), and show().

utility::vector1< core::Real > protocols::make_rot_lib::RotData::inp_chi_
private
core::Real protocols::make_rot_lib::RotData::inter_atr_
private

Referenced by get_inter_atr(), and set_inter_atr().

core::Real protocols::make_rot_lib::RotData::inter_rep_
private

Referenced by get_inter_rep(), and set_inter_rep().

core::Real protocols::make_rot_lib::RotData::intra_atr_
private

Referenced by get_intra_atr(), and set_intra_atr().

core::Real protocols::make_rot_lib::RotData::intra_rep_
private

Referenced by get_intra_rep(), and set_intra_rep().

utility::vector1< core::Size > protocols::make_rot_lib::RotData::lib_chi_val_
private
utility::vector1< core::Real > protocols::make_rot_lib::RotData::min_chi_
private
core::Real protocols::make_rot_lib::RotData::min_epsilon_
private

Referenced by get_min_eps(), load(), set_min_eps(), and show().

core::Real protocols::make_rot_lib::RotData::min_omega_
private

Referenced by get_min_omg(), load(), set_min_omg(), and show().

core::Size protocols::make_rot_lib::RotData::num_bbs_
private
core::Size protocols::make_rot_lib::RotData::num_chi_
private

Referenced by get_num_chi(), load(), set_num_chi(), and show().

core::Size protocols::make_rot_lib::RotData::num_clusters_
private
core::Real protocols::make_rot_lib::RotData::omega_
private

Referenced by get_omg(), load(), set_omg(), and show().

core::Real protocols::make_rot_lib::RotData::probability_
private
utility::vector1< core::Real > protocols::make_rot_lib::RotData::semi_energy_dist_
private
utility::vector1< core::Real > protocols::make_rot_lib::RotData::semi_prob_dist_
private
bool protocols::make_rot_lib::RotData::semirotameric_
private

Referenced by get_semirotameric(), and show().

core::Real protocols::make_rot_lib::RotData::solvation_
private

Referenced by get_solvation(), and set_solvation().

utility::vector1< core::Real > protocols::make_rot_lib::RotData::std_dev_
private
core::Real protocols::make_rot_lib::RotData::twist_
private

Referenced by get_twist(), and set_twist().


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