protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3 Class Reference

#include <PseudocontactShiftTensor.hh>

Public Member Functions
	PCS_tensor_Ts3 ()
	~PCS_tensor_Ts3 ()
	PCS_tensor_Ts3 (PCS_tensor_Ts3 const &other)
PCS_tensor_Ts3 &	operator= (PCS_tensor_Ts3 const &other)
	PCS_tensor_Ts3 (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	delta_X_xx () const
core::Real	delta_X_yy () const
core::Real	delta_X_zz () const
core::Real	delta_chi_zz () const
core::Real	chi_xx () const
core::Real	chi_yy () const
core::Real	chi_xy () const
core::Real	chi_xz () const
core::Real	chi_yz () const
void	copy_from_ref (PCS_tensor_Ts3 &other)
std::string const &	get_label () const
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)

Private Member Functions
void	set_abgar ()

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 PCS_tensor_Ts3 &PCS_t)

Constructor & Destructor Documentation

protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::PCS_tensor_Ts3

(

)

References utility_exit_with_message.

protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::~PCS_tensor_Ts3

(

)

protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::PCS_tensor_Ts3

(

PCS_tensor_Ts3 const &

other

)

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

protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::PCS_tensor_Ts3	(	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_xx_, chi_xy(), chi_xy_, chi_xz(), chi_xz_, chi_yy(), chi_yy_, chi_yz(), chi_yz_, label_, and set_abgar().

Member Function Documentation

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::chi_xx

(

)

const

References chi_xx_.

Referenced by PCS_tensor_Ts3(), and reset_tensor().

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::chi_xy

(

)

const

References chi_xy_.

Referenced by PCS_tensor_Ts3(), and reset_tensor().

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::chi_xz

(

)

const

References chi_xz_.

Referenced by PCS_tensor_Ts3(), and reset_tensor().

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::chi_yy

(

)

const

References chi_yy_.

Referenced by PCS_tensor_Ts3(), and reset_tensor().

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::chi_yz

(

)

const

References chi_yz_.

Referenced by PCS_tensor_Ts3(), and reset_tensor().

void protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::copy_from_ref

(

PCS_tensor_Ts3 &

other

)

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

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::delta_chi_zz

(

)

const

References chi_xx_, and chi_yy_.

Referenced by protocols::scoring::methods::pcsTs3::operator<<().

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::delta_X_xx

(

)

const

References ax_, and rh_.

Referenced by protocols::scoring::methods::pcsTs3::operator<<().

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::delta_X_yy

(

)

const

References ax_, and rh_.

Referenced by protocols::scoring::methods::pcsTs3::operator<<().

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::delta_X_zz

(

)

const

References ax_.

Referenced by protocols::scoring::methods::pcsTs3::operator<<().

std::string const & protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::get_label

(

)

const

References label_.

PCS_tensor_Ts3 & protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::operator=

(

PCS_tensor_Ts3 const &

other

)

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

void protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::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
	)

References chi_xx(), chi_xx_, chi_xy(), chi_xy_, chi_xz(), chi_xz_, chi_yy(), chi_yy_, chi_yz(), chi_yz_, and set_abgar().

Referenced by protocols::scoring::methods::pcsTs3::PCS_data_per_lanthanides_Ts3::calculate_tensor_and_cost_with_svd().

void protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::set_abgar ( )

private

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

Referenced by PCS_tensor_Ts3(), and reset_tensor().

Friends And Related Function Documentation

std::ostream& operator<< ( std::ostream &  out, const PCS_tensor_Ts3 &  PCS_t  )

friend

Member Data Documentation

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::a_

private

Referenced by copy_from_ref(), protocols::scoring::methods::pcsTs3::operator<<(), operator=(), PCS_tensor_Ts3(), and set_abgar().

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::ax_

private

Referenced by copy_from_ref(), delta_X_xx(), delta_X_yy(), delta_X_zz(), protocols::scoring::methods::pcsTs3::operator<<(), operator=(), PCS_tensor_Ts3(), and set_abgar().

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::b_

private

Referenced by copy_from_ref(), protocols::scoring::methods::pcsTs3::operator<<(), operator=(), PCS_tensor_Ts3(), and set_abgar().

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::chi_xx_

private

Referenced by chi_xx(), copy_from_ref(), delta_chi_zz(), protocols::scoring::methods::pcsTs3::operator<<(), operator=(), PCS_tensor_Ts3(), and reset_tensor().

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::chi_xy_

private

Referenced by chi_xy(), copy_from_ref(), protocols::scoring::methods::pcsTs3::operator<<(), operator=(), PCS_tensor_Ts3(), and reset_tensor().

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::chi_xz_

private

Referenced by chi_xz(), copy_from_ref(), protocols::scoring::methods::pcsTs3::operator<<(), operator=(), PCS_tensor_Ts3(), and reset_tensor().

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::chi_yy_

private

Referenced by chi_yy(), copy_from_ref(), delta_chi_zz(), protocols::scoring::methods::pcsTs3::operator<<(), operator=(), PCS_tensor_Ts3(), and reset_tensor().

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::chi_yz_

private

Referenced by chi_yz(), copy_from_ref(), protocols::scoring::methods::pcsTs3::operator<<(), operator=(), PCS_tensor_Ts3(), and reset_tensor().

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::g_

private

Referenced by copy_from_ref(), protocols::scoring::methods::pcsTs3::operator<<(), operator=(), PCS_tensor_Ts3(), and set_abgar().

std::string protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::label_

private

Referenced by copy_from_ref(), get_label(), protocols::scoring::methods::pcsTs3::operator<<(), operator=(), and PCS_tensor_Ts3().

core::Real protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::rh_

private

Referenced by copy_from_ref(), delta_X_xx(), delta_X_yy(), protocols::scoring::methods::pcsTs3::operator<<(), operator=(), PCS_tensor_Ts3(), and set_abgar().

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

• src/protocols/scoring/methods/pcsTs3/PseudocontactShiftTensor.hh
• src/protocols/scoring/methods/pcsTs3/PseudocontactShiftTensor.cc