Rosetta 3.5
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Classes | Typedefs | Functions
protocols::scoring::methods::pcs2 Namespace Reference

Classes

class  GridSearchIterator
 
class  GridSearchIteratorCA
 
class  PcsDataCenter
 
class  PcsDataCenterManager
 
class  PcsDataCenterManagerSingleton
 
class  PcsDataLanthanide
 
class  PcsEnergy
 
class  PcsEnergyCreator
 
class  PcsEnergyParameter
 
class  PcsEnergyParameterManager
 
class  PcsGridSearchParameter
 
class  PcsGridSearchParameterManager
 
class  PcsInputCenter
 PcsInputCenter contain all the input information for one paramagnetic center. It can contain multiple data set. More...
 
class  PcsInputCenterManager
 
class  PcsInputFile
 PcsInputFile contain all the information of a .npc file one per lanthanide. More...
 
class  PcsInputLine
 PcsInputLine class: hold a line of the input file information (.npc format) One PcsInputLine per line in the input file. More...
 
class  PcsTensor
 
class  TensorsOptimizer
 
class  TensorsOptimizerFix
 
class  TensorsOptimizerSvd
 

Typedefs

typedef
utility::pointer::owning_ptr
< GridSearchIterator
GridSearchIteratorOP
 
typedef
utility::pointer::owning_ptr
< GridSearchIterator const > 
GridSearchIteratorCOP
 
typedef
utility::pointer::owning_ptr
< PcsDataCenter
PcsDataCenterOP
 
typedef
utility::pointer::owning_ptr
< PcsDataCenter const > 
PcsDataCenterCOP
 
typedef
utility::pointer::owning_ptr
< PcsDataCenterManager
PcsDataCenterManagerOP
 
typedef
utility::pointer::owning_ptr
< PcsEnergy
PcsEnergyOP
 
typedef
utility::pointer::owning_ptr
< PcsEnergy const > 
PcsEnergyCOP
 
typedef
utility::pointer::owning_ptr
< PcsInputCenter
PcsInputCenterOP
 
typedef
utility::pointer::owning_ptr
< PcsInputCenter const > 
PcsInputCenterCOP
 

Functions

basic::Tracer TR_PcsDataCenter ("protocols.scoring.methods.pcs.PcsDataCenter")
 
core::Real fill_A_line_fast (utility::vector1< core::Real > &A_line, core::Real const xM, core::Real const yM, core::Real const zM, core::Real const x, core::Real const y, core::Real const z)
 
void fill_A_line_slow (utility::vector1< core::Real > &A_line, core::Real const xM, core::Real const yM, core::Real const zM, core::Real const x, core::Real const y, core::Real const z)
 
std::ostream & operator<< (std::ostream &out, const PcsDataCenter &me)
 
basic::Tracer TR_PcsDataCenterManager ("protocols.scoring.methods.pcs.PcsDataCenterManager")
 
std::ostream & operator<< (std::ostream &out, const PcsDataCenterManager &m)
 
basic::Tracer TR_PcsDataCenterManagerSingleton ("protocols.scoring.methods.pcs.PcsDataCenterManagerSingleton")
 
std::ostream & operator<< (std::ostream &out, const PcsDataCenterManagerSingleton &m)
 
basic::Tracer TR_PcsDataLanthanide ("protocols.scoring.methods.pcs.PcsDataLanthanide")
 
bool do_I_skip (PcsInputLine &pcs_i_l, core::Size start, core::Size end)
 
core::Size reduced_size (utility::vector1< PcsInputLine > const &pcs_i_l_v, core::Size start, core::Size end)
 
std::ostream & operator<< (std::ostream &out, const PcsDataLanthanide &me)
 
basic::Tracer TR_PcsEnergy ("protocols.scoring.methods.pcs.PcsEnergy")
 
basic::Tracer TR_PcsEnergyParameter ("protocols.scoring.methods.pcs.PcsEnergyParameter")
 
std::ostream & operator<< (std::ostream &out, const PcsEnergyParameter &me)
 
basic::Tracer TR_PcsEnergyParameterManager ("protocols.scoring.methods.pcs.PcsEnergyParameterManager")
 
std::ostream & operator<< (std::ostream &out, const PcsEnergyParameterManager &me)
 
std::ostream & operator<< (std::ostream &out, const PcsGridSearchParameter &me)
 
void output_error_message (core::Size id)
 
bool valide_include_only_stage (core::Size start, core::Size end)
 
basic::Tracer TR_PcsInputCenter ("protocols.scoring.methods.pcs.PcsInputCenter")
 
std::ostream & operator<< (std::ostream &out, const PcsInputCenter &me)
 
basic::Tracer TR_PcsInputCenterManager ("protocols.scoring.methods.pcs.PcsInputCenterManager")
 
std::ostream & operator<< (std::ostream &out, const PcsInputCenterManager &me)
 
basic::Tracer TR_PcsInputFile ("protocols.scoring.methods.pcs.PcsInputFile")
 
std::ostream & operator<< (std::ostream &out, const PcsInputFile &me)
 
basic::Tracer TR_PcsInputLine ("protocols.scoring.methods.pcs.PcsInputLine")
 
std::ostream & operator<< (std::ostream &out, const PcsInputLine &me)
 
std::ostream & operator<< (std::ostream &out, const PcsTensor &me)
 
basic::Tracer TR_TensorsOptimizer ("protocols.scoring.methods.pcs.TensorsOptimizer")
 
basic::Tracer TR_TensorsOptimizerFix ("protocols.scoring.methods.pcs.TensorsOptimizerFix")
 
basic::Tracer TR_TensorsOptimizerSvd ("protocols.scoring.methods.pcs.TensorsOptimizerSvd")
 

Typedef Documentation

Function Documentation

bool protocols::scoring::methods::pcs2::do_I_skip ( PcsInputLine &  pcs_i_l,
core::Size  start,
core::Size  end 
)
core::Real protocols::scoring::methods::pcs2::fill_A_line_fast ( utility::vector1< core::Real > &  A_line,
core::Real const  xM,
core::Real const  yM,
core::Real const  zM,
core::Real const  x,
core::Real const  y,
core::Real const  z 
)
void protocols::scoring::methods::pcs2::fill_A_line_slow ( utility::vector1< core::Real > &  A_line,
core::Real const  xM,
core::Real const  yM,
core::Real const  zM,
core::Real const  x,
core::Real const  y,
core::Real const  z 
)
std::ostream& protocols::scoring::methods::pcs2::operator<< ( std::ostream &  out,
const PcsInputCenterManager &  me 
)
std::ostream& protocols::scoring::methods::pcs2::operator<< ( std::ostream &  out,
const PcsDataCenterManager &  m 
)
std::ostream& protocols::scoring::methods::pcs2::operator<< ( std::ostream &  out,
const PcsEnergyParameterManager &  me 
)
std::ostream& protocols::scoring::methods::pcs2::operator<< ( std::ostream &  out,
const PcsDataCenterManagerSingleton &  m 
)
std::ostream& protocols::scoring::methods::pcs2::operator<< ( std::ostream &  out,
const PcsInputCenter &  me 
)
std::ostream& protocols::scoring::methods::pcs2::operator<< ( std::ostream &  out,
const PcsEnergyParameter &  me 
)
std::ostream& protocols::scoring::methods::pcs2::operator<< ( std::ostream &  out,
const PcsInputLine &  me 
)
std::ostream& protocols::scoring::methods::pcs2::operator<< ( std::ostream &  out,
const PcsTensor &  me 
)
std::ostream& protocols::scoring::methods::pcs2::operator<< ( std::ostream &  out,
const PcsInputFile &  me 
)
std::ostream& protocols::scoring::methods::pcs2::operator<< ( std::ostream &  out,
const PcsGridSearchParameter &  me 
)

References protocols::scoring::methods::pcs2::PcsGridSearchParameter::filenames_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::include_only_end_stage1_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::include_only_end_stage2_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::include_only_end_stage3_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::include_only_end_stage4_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::include_only_start_stage1_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::include_only_start_stage2_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::include_only_start_stage3_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::include_only_start_stage4_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::individual_scale_stage1_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::individual_scale_stage2_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::individual_scale_stage3_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::individual_scale_stage4_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::individual_weights_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::n_trial_min_stage1_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::n_trial_min_stage2_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::n_trial_min_stage3_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::n_trial_min_stage4_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::pcs_weight_stage1_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::pcs_weight_stage2_, protocols::scoring::methods::pcs2::PcsGridSearchParameter::pcs_weight_stage3_, and protocols::scoring::methods::pcs2::PcsGridSearchParameter::pcs_weight_stage4_.

std::ostream& protocols::scoring::methods::pcs2::operator<< ( std::ostream &  out,
const PcsDataCenter &  me 
)
std::ostream& protocols::scoring::methods::pcs2::operator<< ( std::ostream &  out,
const PcsDataLanthanide &  me 
)
void protocols::scoring::methods::pcs2::output_error_message ( core::Size  id)
core::Size protocols::scoring::methods::pcs2::reduced_size ( utility::vector1< PcsInputLine > const &  pcs_i_l_v,
core::Size  start,
core::Size  end 
)
basic::Tracer protocols::scoring::methods::pcs2::TR_PcsDataCenter ( "protocols.scoring.methods.pcs.PcsDataCenter"  )
basic::Tracer protocols::scoring::methods::pcs2::TR_PcsDataCenterManager ( "protocols.scoring.methods.pcs.PcsDataCenterManager"  )
basic::Tracer protocols::scoring::methods::pcs2::TR_PcsDataCenterManagerSingleton ( "protocols.scoring.methods.pcs.PcsDataCenterManagerSingleton"  )
basic::Tracer protocols::scoring::methods::pcs2::TR_PcsDataLanthanide ( "protocols.scoring.methods.pcs.PcsDataLanthanide"  )
basic::Tracer protocols::scoring::methods::pcs2::TR_PcsEnergy ( "protocols.scoring.methods.pcs.PcsEnergy"  )
basic::Tracer protocols::scoring::methods::pcs2::TR_PcsEnergyParameter ( "protocols.scoring.methods.pcs.PcsEnergyParameter"  )
basic::Tracer protocols::scoring::methods::pcs2::TR_PcsEnergyParameterManager ( "protocols.scoring.methods.pcs.PcsEnergyParameterManager"  )
basic::Tracer protocols::scoring::methods::pcs2::TR_PcsInputCenter ( "protocols.scoring.methods.pcs.PcsInputCenter"  )
basic::Tracer protocols::scoring::methods::pcs2::TR_PcsInputCenterManager ( "protocols.scoring.methods.pcs.PcsInputCenterManager"  )
basic::Tracer protocols::scoring::methods::pcs2::TR_PcsInputFile ( "protocols.scoring.methods.pcs.PcsInputFile"  )
basic::Tracer protocols::scoring::methods::pcs2::TR_PcsInputLine ( "protocols.scoring.methods.pcs.PcsInputLine"  )
basic::Tracer protocols::scoring::methods::pcs2::TR_TensorsOptimizer ( "protocols.scoring.methods.pcs.TensorsOptimizer"  )
basic::Tracer protocols::scoring::methods::pcs2::TR_TensorsOptimizerFix ( "protocols.scoring.methods.pcs.TensorsOptimizerFix"  )
basic::Tracer protocols::scoring::methods::pcs2::TR_TensorsOptimizerSvd ( "protocols.scoring.methods.pcs.TensorsOptimizerSvd"  )
bool protocols::scoring::methods::pcs2::valide_include_only_stage ( core::Size  start,
core::Size  end 
)