protocols::scoring::methods::pcs::PCS_tensor Class Reference

#include <PseudocontactShiftTensor.hh>

Public Member Functions
	PCS_tensor ()
	~PCS_tensor ()
	PCS_tensor (PCS_tensor const &other)
PCS_tensor &	operator= (PCS_tensor const &other)
	PCS_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, 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 &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 &PCS_t)

Constructor & Destructor Documentation

PCS_tensor() [1/3]

protocols::scoring::methods::pcs::PCS_tensor::PCS_tensor

(

)

~PCS_tensor()

protocols::scoring::methods::pcs::PCS_tensor::~PCS_tensor ( )

default

PCS_tensor() [2/3]

protocols::scoring::methods::pcs::PCS_tensor::PCS_tensor

(

PCS_tensor const &

other

)

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

PCS_tensor() [3/3]

protocols::scoring::methods::pcs::PCS_tensor::PCS_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,
		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

chi_xx()

core::Real protocols::scoring::methods::pcs::PCS_tensor::chi_xx

(

)

const

References chi_xx_.

Referenced by PCS_tensor(), and reset_tensor().

chi_xy()

core::Real protocols::scoring::methods::pcs::PCS_tensor::chi_xy

(

)

const

References chi_xy_.

Referenced by PCS_tensor(), and reset_tensor().

chi_xz()

core::Real protocols::scoring::methods::pcs::PCS_tensor::chi_xz

(

)

const

References chi_xz_.

Referenced by PCS_tensor(), and reset_tensor().

chi_yy()

core::Real protocols::scoring::methods::pcs::PCS_tensor::chi_yy

(

)

const

References chi_yy_.

Referenced by PCS_tensor(), and reset_tensor().

chi_yz()

core::Real protocols::scoring::methods::pcs::PCS_tensor::chi_yz

(

)

const

References chi_yz_.

Referenced by PCS_tensor(), and reset_tensor().

copy_from_ref()

void protocols::scoring::methods::pcs::PCS_tensor::copy_from_ref

(

PCS_tensor &

other

)

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

delta_chi_zz()

core::Real protocols::scoring::methods::pcs::PCS_tensor::delta_chi_zz

(

)

const

References chi_xx_, and chi_yy_.

delta_X_xx()

core::Real protocols::scoring::methods::pcs::PCS_tensor::delta_X_xx

(

)

const

References ax_, and rh_.

delta_X_yy()

core::Real protocols::scoring::methods::pcs::PCS_tensor::delta_X_yy

(

)

const

References ax_, and rh_.

delta_X_zz()

core::Real protocols::scoring::methods::pcs::PCS_tensor::delta_X_zz

(

)

const

References ax_.

get_label()

std::string const & protocols::scoring::methods::pcs::PCS_tensor::get_label

(

)

const

References label_.

operator=()

PCS_tensor & protocols::scoring::methods::pcs::PCS_tensor::operator=

(

PCS_tensor const &

other

)

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

reset_tensor()

void protocols::scoring::methods::pcs::PCS_tensor::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::pcs::PCS_data_per_lanthanides::calculate_tensor_and_cost_with_svd().

set_abgar()

void protocols::scoring::methods::pcs::PCS_tensor::set_abgar ( )

private

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

Referenced by PCS_tensor(), and reset_tensor().

Friends And Related Function Documentation

operator<<

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

friend

Member Data Documentation

a_

core::Real protocols::scoring::methods::pcs::PCS_tensor::a_

private

Referenced by copy_from_ref(), operator=(), PCS_tensor(), and set_abgar().

ax_

core::Real protocols::scoring::methods::pcs::PCS_tensor::ax_

private

Referenced by copy_from_ref(), delta_X_xx(), delta_X_yy(), delta_X_zz(), operator=(), PCS_tensor(), and set_abgar().

b_

core::Real protocols::scoring::methods::pcs::PCS_tensor::b_

private

Referenced by copy_from_ref(), operator=(), PCS_tensor(), and set_abgar().

chi_xx_

core::Real protocols::scoring::methods::pcs::PCS_tensor::chi_xx_

private

Referenced by chi_xx(), copy_from_ref(), delta_chi_zz(), operator=(), PCS_tensor(), and reset_tensor().

chi_xy_

core::Real protocols::scoring::methods::pcs::PCS_tensor::chi_xy_

private

Referenced by chi_xy(), copy_from_ref(), operator=(), PCS_tensor(), and reset_tensor().

chi_xz_

core::Real protocols::scoring::methods::pcs::PCS_tensor::chi_xz_

private

Referenced by chi_xz(), copy_from_ref(), operator=(), PCS_tensor(), and reset_tensor().

chi_yy_

core::Real protocols::scoring::methods::pcs::PCS_tensor::chi_yy_

private

Referenced by chi_yy(), copy_from_ref(), delta_chi_zz(), operator=(), PCS_tensor(), and reset_tensor().

chi_yz_

core::Real protocols::scoring::methods::pcs::PCS_tensor::chi_yz_

private

Referenced by chi_yz(), copy_from_ref(), operator=(), PCS_tensor(), and reset_tensor().

g_

core::Real protocols::scoring::methods::pcs::PCS_tensor::g_

private

Referenced by copy_from_ref(), operator=(), PCS_tensor(), and set_abgar().

label_

std::string protocols::scoring::methods::pcs::PCS_tensor::label_

private

Referenced by copy_from_ref(), get_label(), operator=(), and PCS_tensor().

rh_

core::Real protocols::scoring::methods::pcs::PCS_tensor::rh_

private

Referenced by copy_from_ref(), delta_X_xx(), delta_X_yy(), operator=(), PCS_tensor(), and set_abgar().

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

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