protocols::scoring::methods::pcs2::PcsTensor Class Reference

#include <PcsTensor.hh>

Collaboration diagram for protocols::scoring::methods::pcs2::PcsTensor:

Public Member Functions
	PcsTensor ()
	~PcsTensor ()
	PcsTensor (PcsTensor const &other)
PcsTensor &	operator= (PcsTensor const &other)
	PcsTensor (core::Real const chi_xx, core::Real const chi_yy, core::Real const chi_xy, core::Real const chi_xz, core::Real const chi_yz, std::string const label)
	The constructeur use the chi matrix parameters (not the alpha beta gamma Ax and Rh component...) More...
core::Real	get_delta_X_xx () const
	Give me delta chi_xx. More...
core::Real	get_delta_X_yy () const
	Give me delta chi_yy. More...
core::Real	get_delta_X_zz () const
	Give me delta chi_zz. More...
core::Real	get_chi_zz () const
	Give me chi_zz. More...
core::Real	get_chi_xx () const
	Give me chi_xx. More...
core::Real	get_chi_yy () const
	Give me chi_yy. More...
core::Real	get_chi_xy () const
	Give me chi_xy. More...
core::Real	get_chi_xz () const
	Give me chi_xz. More...
core::Real	get_chi_yz () const
	Give me chi_yz. More...
void	reset_from_ref (PcsTensor &other)
	Reset the tensor from the other tensor value. More...
std::string const &	get_label () const
	Give me the tensor label. More...
void	reset_tensor (core::Real const chi_xx, core::Real const chi_yy, core::Real const chi_xy, core::Real const chi_xz, core::Real const chi_yz)
	Reset the tensor from the given values. More...

Private Member Functions
void	set_abgar ()
	NOT READY. This should set alpha beta gamma axial rhombic. More...

Private Attributes
core::Real	a_
core::Real	b_
core::Real	g_
core::Real	ax_
core::Real	rh_
core::Real	chi_xx_
core::Real	chi_yy_
core::Real	chi_xy_
core::Real	chi_xz_
core::Real	chi_yz_
std::string	label_

Friends
std::ostream &	operator<< (std::ostream &out, const PcsTensor &me)
	Print me. More...

Constructor & Destructor Documentation

protocols::scoring::methods::pcs2::PcsTensor::PcsTensor

(

)

protocols::scoring::methods::pcs2::PcsTensor::~PcsTensor

(

)

protocols::scoring::methods::pcs2::PcsTensor::PcsTensor

(

PcsTensor const &

other)

References a_, ax_, b_, chi_xx_, chi_xy_, chi_xz_, chi_yy_, chi_yz_, g_, label_, and rh_.

protocols::scoring::methods::pcs2::PcsTensor::PcsTensor	(	core::Real const	chi_xx,
		core::Real const	chi_yy,
		core::Real const	chi_xy,
		core::Real const	chi_xz,
		core::Real const	chi_yz,
		std::string const	label
	)

The constructeur use the chi matrix parameters (not the alpha beta gamma Ax and Rh component...)

References chi_xx_, chi_xy_, chi_xz_, chi_yy_, chi_yz_, label_, and set_abgar().

Member Function Documentation

core::Real protocols::scoring::methods::pcs2::PcsTensor::get_chi_xx

(

)

const

Give me chi_xx.

References chi_xx_.

Referenced by protocols::scoring::methods::pcs2::PcsEnergy::CA_search_scores_and_tensors(), and protocols::scoring::methods::pcs2::TensorsOptimizerSvd::dfunc_exact().

core::Real protocols::scoring::methods::pcs2::PcsTensor::get_chi_xy

(

)

const

Give me chi_xy.

References chi_xy_.

Referenced by protocols::scoring::methods::pcs2::PcsEnergy::CA_search_scores_and_tensors(), and protocols::scoring::methods::pcs2::TensorsOptimizerSvd::dfunc_exact().

core::Real protocols::scoring::methods::pcs2::PcsTensor::get_chi_xz

(

)

const

Give me chi_xz.

References chi_xz_.

Referenced by protocols::scoring::methods::pcs2::PcsEnergy::CA_search_scores_and_tensors(), and protocols::scoring::methods::pcs2::TensorsOptimizerSvd::dfunc_exact().

core::Real protocols::scoring::methods::pcs2::PcsTensor::get_chi_yy

(

)

const

Give me chi_yy.

References chi_yy_.

Referenced by protocols::scoring::methods::pcs2::PcsEnergy::CA_search_scores_and_tensors(), and protocols::scoring::methods::pcs2::TensorsOptimizerSvd::dfunc_exact().

core::Real protocols::scoring::methods::pcs2::PcsTensor::get_chi_yz

(

)

const

Give me chi_yz.

References chi_yz_.

Referenced by protocols::scoring::methods::pcs2::PcsEnergy::CA_search_scores_and_tensors(), and protocols::scoring::methods::pcs2::TensorsOptimizerSvd::dfunc_exact().

core::Real protocols::scoring::methods::pcs2::PcsTensor::get_chi_zz

(

)

const

Give me chi_zz.

References chi_xx_, and chi_yy_.

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

core::Real protocols::scoring::methods::pcs2::PcsTensor::get_delta_X_xx

(

)

const

Give me delta chi_xx.

References ax_, and rh_.

core::Real protocols::scoring::methods::pcs2::PcsTensor::get_delta_X_yy

(

)

const

Give me delta chi_yy.

References ax_, and rh_.

core::Real protocols::scoring::methods::pcs2::PcsTensor::get_delta_X_zz

(

)

const

Give me delta chi_zz.

References ax_.

std::string const & protocols::scoring::methods::pcs2::PcsTensor::get_label

(

)

const

Give me the tensor label.

References label_.

PcsTensor & protocols::scoring::methods::pcs2::PcsTensor::operator=

(

PcsTensor const &

other)

References a_, ax_, b_, chi_xx_, chi_xy_, chi_xz_, chi_yy_, chi_yz_, g_, label_, and rh_.

void protocols::scoring::methods::pcs2::PcsTensor::reset_from_ref

(

PcsTensor &

other)

Reset the tensor from the other tensor value.

References a_, ax_, b_, chi_xx_, chi_xy_, chi_xz_, chi_yy_, chi_yz_, g_, label_, and rh_.

void protocols::scoring::methods::pcs2::PcsTensor::reset_tensor	(	core::Real const	chi_xx,
		core::Real const	chi_yy,
		core::Real const	chi_xy,
		core::Real const	chi_xz,
		core::Real const	chi_yz
	)

Reset the tensor from the given values.

References chi_xx_, chi_xy_, chi_xz_, chi_yy_, chi_yz_, and set_abgar().

Referenced by protocols::scoring::methods::pcs2::PcsDataLanthanide::calculate_tensor_and_cost_with_svd(), protocols::scoring::methods::pcs2::PcsDataLanthanide::calculate_tensor_only_with_svd(), and protocols::scoring::methods::pcs2::PcsDataLanthanide::retrieve_tensor_from_svd().

void protocols::scoring::methods::pcs2::PcsTensor::set_abgar ( )

private

NOT READY. This should set alpha beta gamma axial rhombic.

References a_, ax_, b_, g_, and rh_.

Referenced by PcsTensor(), and reset_tensor().

Friends And Related Function Documentation

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

friend

Print me.

Member Data Documentation

core::Real protocols::scoring::methods::pcs2::PcsTensor::a_

private

Referenced by operator=(), PcsTensor(), reset_from_ref(), and set_abgar().

core::Real protocols::scoring::methods::pcs2::PcsTensor::ax_

private

Referenced by get_delta_X_xx(), get_delta_X_yy(), get_delta_X_zz(), operator=(), PcsTensor(), reset_from_ref(), and set_abgar().

core::Real protocols::scoring::methods::pcs2::PcsTensor::b_

private

Referenced by operator=(), PcsTensor(), reset_from_ref(), and set_abgar().

core::Real protocols::scoring::methods::pcs2::PcsTensor::chi_xx_

private

Referenced by get_chi_xx(), get_chi_zz(), protocols::scoring::methods::pcs2::operator<<(), operator=(), PcsTensor(), reset_from_ref(), and reset_tensor().

core::Real protocols::scoring::methods::pcs2::PcsTensor::chi_xy_

private

Referenced by get_chi_xy(), protocols::scoring::methods::pcs2::operator<<(), operator=(), PcsTensor(), reset_from_ref(), and reset_tensor().

core::Real protocols::scoring::methods::pcs2::PcsTensor::chi_xz_

private

Referenced by get_chi_xz(), protocols::scoring::methods::pcs2::operator<<(), operator=(), PcsTensor(), reset_from_ref(), and reset_tensor().

core::Real protocols::scoring::methods::pcs2::PcsTensor::chi_yy_

private

Referenced by get_chi_yy(), get_chi_zz(), protocols::scoring::methods::pcs2::operator<<(), operator=(), PcsTensor(), reset_from_ref(), and reset_tensor().

core::Real protocols::scoring::methods::pcs2::PcsTensor::chi_yz_

private

Referenced by get_chi_yz(), protocols::scoring::methods::pcs2::operator<<(), operator=(), PcsTensor(), reset_from_ref(), and reset_tensor().

core::Real protocols::scoring::methods::pcs2::PcsTensor::g_

private

Referenced by operator=(), PcsTensor(), reset_from_ref(), and set_abgar().

std::string protocols::scoring::methods::pcs2::PcsTensor::label_

private

Referenced by get_label(), protocols::scoring::methods::pcs2::operator<<(), operator=(), PcsTensor(), and reset_from_ref().

core::Real protocols::scoring::methods::pcs2::PcsTensor::rh_

private

Referenced by get_delta_X_xx(), get_delta_X_yy(), operator=(), PcsTensor(), reset_from_ref(), and set_abgar().

---

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

• src/protocols/scoring/methods/pcs2/PcsTensor.hh
• src/protocols/scoring/methods/pcs2/PcsTensor.cc