protocols::unfolded_state_energy_calculator Namespace Reference

Classes
class	UnfoldedStateEnergyCalculatorJobDistributor
class	UnfoldedStateEnergyCalculatorMover
class	UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributor

Typedefs
typedef utility::pointer::shared_ptr < UnfoldedStateEnergyCalculatorJobDistributor >	UnfoldedStateEnergyCalculatorJobDistributorOP
typedef utility::pointer::shared_ptr < UnfoldedStateEnergyCalculatorJobDistributor const >	UnfoldedStateEnergyCalculatorJobDistributorCOP
typedef utility::pointer::shared_ptr < UnfoldedStateEnergyCalculatorMover >	UnfoldedStateEnergyCalculatorMoverOP
typedef utility::pointer::shared_ptr < UnfoldedStateEnergyCalculatorMover const >	UnfoldedStateEnergyCalculatorMoverCOP
typedef utility::pointer::shared_ptr < UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributor >	UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributorOP
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

typedef utility::pointer::shared_ptr< UnfoldedStateEnergyCalculatorJobDistributor const > protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributorCOP

typedef utility::pointer::shared_ptr< UnfoldedStateEnergyCalculatorJobDistributor > protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributorOP

typedef utility::pointer::shared_ptr< UnfoldedStateEnergyCalculatorMover const > protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMoverCOP

typedef utility::pointer::shared_ptr< UnfoldedStateEnergyCalculatorMover > protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMoverOP

typedef utility::pointer::shared_ptr< UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributor const > protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributorCOP

typedef utility::pointer::shared_ptr< UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributor > protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributorOP

Function Documentation

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

References calc_vector_boltzmann(), calc_vector_mean(), calc_vector_median(), calc_vector_mode(), core::simple_metrics::metrics::mean, core::scoring::n_score_types, and protocols::TR().

Referenced by protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor::go(), and protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributor::master_go().

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().

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().

core::Real protocols::unfolded_state_energy_calculator::calc_vector_median

(

utility::vector1< core::Real > const &

)

assumes sorted array

Referenced by calc_all_averages().

core::Real protocols::unfolded_state_energy_calculator::calc_vector_mode

(

utility::vector1< core::Real > const &

)

assumes sorted array

Referenced by calc_all_averages().

const int protocols::unfolded_state_energy_calculator::LENGTH_TLC

(

3

)

Referenced by protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributor::master_go(), and protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributor::slave_add_unfolded_energy_data().

const int protocols::unfolded_state_energy_calculator::UNFOLDED_ENERGY_DATA_TAG

(

40

)

Referenced by protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributor::master_go(), and protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributor::slave_add_unfolded_energy_data().

const int protocols::unfolded_state_energy_calculator::UNFOLDED_ENERGY_TERMS_TAG

(

50

)

Referenced by protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributor::master_go(), and protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributor::slave_set_energy_terms().