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Classes | Typedefs | Functions
protocols::unfolded_state_energy_calculator Namespace Reference

Classes

class  UnfoldedStateEnergyCalculatorJobDistributor
 
class  UnfoldedStateEnergyCalculatorMover
 
class  UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributor
 

Typedefs

typedef utility::pointer::shared_ptr< UnfoldedStateEnergyCalculatorJobDistributorUnfoldedStateEnergyCalculatorJobDistributorOP
 
typedef utility::pointer::shared_ptr< UnfoldedStateEnergyCalculatorJobDistributor const > UnfoldedStateEnergyCalculatorJobDistributorCOP
 
typedef utility::pointer::shared_ptr< UnfoldedStateEnergyCalculatorMoverUnfoldedStateEnergyCalculatorMoverOP
 
typedef utility::pointer::shared_ptr< UnfoldedStateEnergyCalculatorMover const > UnfoldedStateEnergyCalculatorMoverCOP
 
typedef utility::pointer::shared_ptr< UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributorUnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributorOP
 
typedef utility::pointer::shared_ptr< UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributor const > UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributorCOP
 

Functions

const int UNFOLDED_ENERGY_DATA_TAG (40)
 
const int UNFOLDED_ENERGY_TERMS_TAG (50)
 
const int LENGTH_TLC (3)
 
void calc_all_averages (utility::vector1< core::scoring::EMapVector > unweighted_energies, core::scoring::EMapVector energy_terms)
 
core::Real calc_vector_mean (utility::vector1< core::Real > const &data)
 assumes sorted array More...
 
core::Real calc_vector_median (utility::vector1< core::Real > const &)
 assumes sorted array More...
 
core::Real calc_vector_mode (utility::vector1< core::Real > const &)
 assumes sorted array More...
 
core::Real calc_vector_boltzmann (utility::vector1< core::Real > const &data)
 assumes sorted array More...
 

Typedef Documentation

◆ UnfoldedStateEnergyCalculatorJobDistributorCOP

◆ UnfoldedStateEnergyCalculatorJobDistributorOP

◆ UnfoldedStateEnergyCalculatorMoverCOP

◆ UnfoldedStateEnergyCalculatorMoverOP

◆ UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributorCOP

◆ UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributorOP

Function Documentation

◆ calc_all_averages()

void protocols::unfolded_state_energy_calculator::calc_all_averages ( utility::vector1< core::scoring::EMapVector unweighted_energies,
core::scoring::EMapVector  energy_terms 
)

◆ calc_vector_boltzmann()

core::Real protocols::unfolded_state_energy_calculator::calc_vector_boltzmann ( utility::vector1< core::Real > const &  data)

assumes sorted array

References core::simple_metrics::metrics::sum.

Referenced by calc_all_averages().

◆ calc_vector_mean()

core::Real protocols::unfolded_state_energy_calculator::calc_vector_mean ( utility::vector1< core::Real > const &  data)

assumes sorted array

References core::simple_metrics::metrics::sum.

Referenced by calc_all_averages().

◆ calc_vector_median()

core::Real protocols::unfolded_state_energy_calculator::calc_vector_median ( utility::vector1< core::Real > const &  )

assumes sorted array

Referenced by calc_all_averages().

◆ calc_vector_mode()

core::Real protocols::unfolded_state_energy_calculator::calc_vector_mode ( utility::vector1< core::Real > const &  )

assumes sorted array

Referenced by calc_all_averages().

◆ LENGTH_TLC()

const int protocols::unfolded_state_energy_calculator::LENGTH_TLC ( )

◆ UNFOLDED_ENERGY_DATA_TAG()

const int protocols::unfolded_state_energy_calculator::UNFOLDED_ENERGY_DATA_TAG ( 40  )

◆ UNFOLDED_ENERGY_TERMS_TAG()

const int protocols::unfolded_state_energy_calculator::UNFOLDED_ENERGY_TERMS_TAG ( 50  )