Rosetta 3.4
Public Member Functions | Friends
protocols::scoring::methods::pcs2::PcsDataLanthanide Class Reference

#include <PcsDataLanthanide.hh>

Collaboration diagram for protocols::scoring::methods::pcs2::PcsDataLanthanide:
Collaboration graph

List of all members.

Public Member Functions

void update_my_A_matrix_for_cstyle (utility::vector1< utility::vector1< core::Real > > &A_all)
 PcsDataLanthanide ()
 ~PcsDataLanthanide ()
 PcsDataLanthanide (PcsDataLanthanide const &other)
PcsDataLanthanideoperator= (PcsDataLanthanide const &other)
 PcsDataLanthanide (std::string, core::Real const weight, utility::vector1< PcsInputLine > &pcs_i_l, core::Size start, core::Size end, core::Real individual_scale)
void set_A_index (core::Size j, core::Size n_pcs_spin_)
 Set a value of the A_index_ vector.
void update_my_A_matrix_for_svd (utility::vector1< utility::vector1< core::Real > > &A_all)
 update the A matrix given A_all matrix. Dimensions of A_all >= dimension of A. A_all is common to all the lanthanide sharing the same center
core::Real get_weight () const
 give me the weight associated with this PCS data
core::Real get_individual_scale () const
core::Real get_normalization_factor () const
 give me the normalization factor associated with this PCS data
core::Real get_normalization_factor_inversed () const
 give me the normalization factor associated with this PCS data
std::string get_filename () const
 give me the filename associated with this PCS data
core::Size get_n_pcs () const
 give me the number of PCS data
utility::vector1< core::Size >
const & 
get_A_index () const
 Give me the A_index_ vector.
const utility::vector1
< utility::vector1< core::Real > > & 
get_cstyle_A () const
 return the b vector in FArray1D format
const utility::vector1
< core::Real > & 
get_cstyle_b () const
const utility::vector1
< core::Real > & 
get_cstyle_b_individual_scale () const
core::Real calculate_tensor_and_cost_with_svd (PcsTensor &pcs_t)
 return the score and populate the PcsTensor with svd.
core::Real calculate_cost_only_with_svd ()
void calculate_tensor_only_with_svd (PcsTensor &pcs_t)
 populate the PcsTensor with svd.
void retrieve_tensor_from_svd (PcsTensor &pcs_t)


std::ostream & operator<< (std::ostream &out, const PcsDataLanthanide &me)

Constructor & Destructor Documentation

protocols::scoring::methods::pcs2::PcsDataLanthanide::PcsDataLanthanide ( )
protocols::scoring::methods::pcs2::PcsDataLanthanide::~PcsDataLanthanide ( )
protocols::scoring::methods::pcs2::PcsDataLanthanide::PcsDataLanthanide ( PcsDataLanthanide const &  other)
protocols::scoring::methods::pcs2::PcsDataLanthanide::PcsDataLanthanide ( std::string  filename,
core::Real const  weight,
utility::vector1< PcsInputLine > &  pcs_i_l,
core::Size  start,
core::Size  end,
core::Real  individual_scale 

Member Function Documentation

core::Real protocols::scoring::methods::pcs2::PcsDataLanthanide::calculate_cost_only_with_svd ( )
core::Real protocols::scoring::methods::pcs2::PcsDataLanthanide::calculate_tensor_and_cost_with_svd ( PcsTensor pcs_t)
void protocols::scoring::methods::pcs2::PcsDataLanthanide::calculate_tensor_only_with_svd ( PcsTensor pcs_t)
const utility::vector1< core::Size > & protocols::scoring::methods::pcs2::PcsDataLanthanide::get_A_index ( ) const
const utility::vector1< utility::vector1< core::Real > > & protocols::scoring::methods::pcs2::PcsDataLanthanide::get_cstyle_A ( ) const

return the b vector in FArray1D format

const utility::vector1< core::Real > & protocols::scoring::methods::pcs2::PcsDataLanthanide::get_cstyle_b ( ) const
const utility::vector1< core::Real > & protocols::scoring::methods::pcs2::PcsDataLanthanide::get_cstyle_b_individual_scale ( ) const
std::string protocols::scoring::methods::pcs2::PcsDataLanthanide::get_filename ( ) const

give me the filename associated with this PCS data

Referenced by protocols::scoring::methods::pcs2::operator<<().

core::Real protocols::scoring::methods::pcs2::PcsDataLanthanide::get_individual_scale ( ) const
core::Size protocols::scoring::methods::pcs2::PcsDataLanthanide::get_n_pcs ( ) const
core::Real protocols::scoring::methods::pcs2::PcsDataLanthanide::get_normalization_factor ( ) const
core::Real protocols::scoring::methods::pcs2::PcsDataLanthanide::get_normalization_factor_inversed ( ) const
core::Real protocols::scoring::methods::pcs2::PcsDataLanthanide::get_weight ( ) const
PcsDataLanthanide & protocols::scoring::methods::pcs2::PcsDataLanthanide::operator= ( PcsDataLanthanide const &  other)
void protocols::scoring::methods::pcs2::PcsDataLanthanide::retrieve_tensor_from_svd ( PcsTensor pcs_t)
void protocols::scoring::methods::pcs2::PcsDataLanthanide::set_A_index ( core::Size  j,
core::Size  n_pcs_spin_ 

Set a value of the A_index_ vector.

Referenced by protocols::scoring::methods::pcs2::PcsDataCenter::PcsDataCenter().

void protocols::scoring::methods::pcs2::PcsDataLanthanide::update_my_A_matrix_for_cstyle ( utility::vector1< utility::vector1< core::Real > > &  A_all)
void protocols::scoring::methods::pcs2::PcsDataLanthanide::update_my_A_matrix_for_svd ( utility::vector1< utility::vector1< core::Real > > &  A_all)

update the A matrix given A_all matrix. Dimensions of A_all >= dimension of A. A_all is common to all the lanthanide sharing the same center

Friends And Related Function Documentation

std::ostream& operator<< ( std::ostream &  out,
const PcsDataLanthanide me 
) [friend]


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