Rosetta 3.4
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#include <PcsDataLanthanide.hh>
Public Member Functions | |
void | update_my_A_matrix_for_cstyle (utility::vector1< utility::vector1< core::Real > > &A_all) |
PcsDataLanthanide () | |
~PcsDataLanthanide () | |
PcsDataLanthanide (PcsDataLanthanide const &other) | |
PcsDataLanthanide & | operator= (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) |
Friends | |
std::ostream & | operator<< (std::ostream &out, const PcsDataLanthanide &me) |
me |
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 | ||
) |
References protocols::scoring::methods::pcs2::do_I_skip(), protocols::scoring::methods::pcs2::PcsInputLine::get_PCS_experimental(), protocols::forge::build::SegmentInsertConnectionScheme::N, protocols::scoring::methods::pcs2::reduced_size(), and protocols::scoring::methods::pcs2::TR_PcsDataLanthanide().
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 | ) |
return the score and populate the PcsTensor with svd.
References make_table_of_pilot_apps::f, and protocols::scoring::methods::pcs2::PcsTensor::reset_tensor().
Referenced by protocols::scoring::methods::pcs2::TensorsOptimizerSvd::func().
void protocols::scoring::methods::pcs2::PcsDataLanthanide::calculate_tensor_only_with_svd | ( | PcsTensor & | pcs_t | ) |
populate the PcsTensor with svd.
References make_table_of_pilot_apps::f, and protocols::scoring::methods::pcs2::PcsTensor::reset_tensor().
Referenced by protocols::scoring::methods::pcs2::PcsEnergy::CA_search_scores_and_tensors().
const utility::vector1< core::Size > & protocols::scoring::methods::pcs2::PcsDataLanthanide::get_A_index | ( | ) | const |
Give me the A_index_ vector.
Referenced by protocols::scoring::methods::pcs2::TensorsOptimizerSvd::dfunc_exact(), protocols::scoring::methods::pcs2::TensorsOptimizerFix::dfunc_exact(), protocols::scoring::methods::pcs2::TensorsOptimizer::dfunc_exact(), protocols::scoring::methods::pcs2::TensorsOptimizerFix::func(), and protocols::scoring::methods::pcs2::TensorsOptimizer::func().
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 |
Referenced by protocols::scoring::methods::pcs2::TensorsOptimizerSvd::dfunc_exact(), protocols::scoring::methods::pcs2::TensorsOptimizerFix::dfunc_exact(), protocols::scoring::methods::pcs2::TensorsOptimizer::dfunc_exact(), protocols::scoring::methods::pcs2::TensorsOptimizerFix::func(), and protocols::scoring::methods::pcs2::TensorsOptimizer::func().
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 |
give me the number of PCS data
Referenced by protocols::scoring::methods::pcs2::TensorsOptimizerSvd::dfunc_exact(), protocols::scoring::methods::pcs2::TensorsOptimizerFix::dfunc_exact(), protocols::scoring::methods::pcs2::TensorsOptimizer::dfunc_exact(), protocols::scoring::methods::pcs2::TensorsOptimizerFix::func(), protocols::scoring::methods::pcs2::TensorsOptimizer::func(), and protocols::scoring::methods::pcs2::operator<<().
core::Real protocols::scoring::methods::pcs2::PcsDataLanthanide::get_normalization_factor | ( | ) | const |
give me the normalization factor associated with this PCS data
Referenced by protocols::scoring::methods::pcs2::TensorsOptimizerFix::dfunc_exact(), and protocols::scoring::methods::pcs2::TensorsOptimizerFix::func().
core::Real protocols::scoring::methods::pcs2::PcsDataLanthanide::get_normalization_factor_inversed | ( | ) | const |
give me the normalization factor associated with this PCS data
Referenced by protocols::scoring::methods::pcs2::TensorsOptimizerSvd::dfunc_exact(), protocols::scoring::methods::pcs2::TensorsOptimizer::dfunc_exact(), and protocols::scoring::methods::pcs2::TensorsOptimizer::func().
core::Real protocols::scoring::methods::pcs2::PcsDataLanthanide::get_weight | ( | ) | const |
give me the weight associated with this PCS data
Referenced by protocols::scoring::methods::pcs2::TensorsOptimizerSvd::dfunc_exact(), protocols::scoring::methods::pcs2::TensorsOptimizerFix::dfunc_exact(), protocols::scoring::methods::pcs2::TensorsOptimizer::dfunc_exact(), protocols::scoring::methods::pcs2::TensorsOptimizerFix::func(), and protocols::scoring::methods::pcs2::TensorsOptimizer::func().
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 | ) |
std::ostream& operator<< | ( | std::ostream & | out, |
const PcsDataLanthanide & | me | ||
) | [friend] |
me