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

#include <PseudocontactShiftTensor.hh>

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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)
 

Detailed Description

Definition at line 54 of file PseudocontactShiftTensor.hh.

Constructor & Destructor Documentation

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

Definition at line 54 of file PseudocontactShiftTensor.cc.

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

Definition at line 58 of file PseudocontactShiftTensor.cc.

protocols::scoring::methods::pcs::PCS_tensor::PCS_tensor ( PCS_tensor const &  other)

Definition at line 61 of file PseudocontactShiftTensor.cc.

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

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...)

Definition at line 97 of file PseudocontactShiftTensor.cc.

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::pcs::PCS_tensor::chi_xx ( ) const

Definition at line 209 of file PseudocontactShiftTensor.cc.

References chi_xx_.

Referenced by PCS_tensor(), and reset_tensor().

core::Real protocols::scoring::methods::pcs::PCS_tensor::chi_xy ( ) const

Definition at line 219 of file PseudocontactShiftTensor.cc.

References chi_xy_.

Referenced by PCS_tensor(), and reset_tensor().

core::Real protocols::scoring::methods::pcs::PCS_tensor::chi_xz ( ) const

Definition at line 224 of file PseudocontactShiftTensor.cc.

References chi_xz_.

Referenced by PCS_tensor(), and reset_tensor().

core::Real protocols::scoring::methods::pcs::PCS_tensor::chi_yy ( ) const

Definition at line 214 of file PseudocontactShiftTensor.cc.

References chi_yy_.

Referenced by PCS_tensor(), and reset_tensor().

core::Real protocols::scoring::methods::pcs::PCS_tensor::chi_yz ( ) const

Definition at line 229 of file PseudocontactShiftTensor.cc.

References chi_yz_.

Referenced by PCS_tensor(), and reset_tensor().

void protocols::scoring::methods::pcs::PCS_tensor::copy_from_ref ( PCS_tensor &  other)

Definition at line 154 of file PseudocontactShiftTensor.cc.

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

core::Real protocols::scoring::methods::pcs::PCS_tensor::delta_chi_zz ( ) const

Definition at line 203 of file PseudocontactShiftTensor.cc.

References chi_xx_, and chi_yy_.

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

core::Real protocols::scoring::methods::pcs::PCS_tensor::delta_X_xx ( ) const

Definition at line 188 of file PseudocontactShiftTensor.cc.

References ax_, and rh_.

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

core::Real protocols::scoring::methods::pcs::PCS_tensor::delta_X_yy ( ) const

Definition at line 193 of file PseudocontactShiftTensor.cc.

References ax_, and rh_.

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

core::Real protocols::scoring::methods::pcs::PCS_tensor::delta_X_zz ( ) const

Definition at line 198 of file PseudocontactShiftTensor.cc.

References ax_.

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

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

Definition at line 183 of file PseudocontactShiftTensor.cc.

References label_.

PCS_tensor & protocols::scoring::methods::pcs::PCS_tensor::operator= ( PCS_tensor const &  other)

Definition at line 76 of file PseudocontactShiftTensor.cc.

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

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 
)

Definition at line 115 of file PseudocontactShiftTensor.cc.

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().

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

Definition at line 171 of file PseudocontactShiftTensor.cc.

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

Referenced by PCS_tensor(), and reset_tensor().

Friends And Related Function Documentation

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

Definition at line 130 of file PseudocontactShiftTensor.cc.

Member Data Documentation

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

Definition at line 57 of file PseudocontactShiftTensor.hh.

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

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

Definition at line 60 of file PseudocontactShiftTensor.hh.

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

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

Definition at line 58 of file PseudocontactShiftTensor.hh.

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

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

Definition at line 65 of file PseudocontactShiftTensor.hh.

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

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

Definition at line 67 of file PseudocontactShiftTensor.hh.

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

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

Definition at line 68 of file PseudocontactShiftTensor.hh.

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

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

Definition at line 66 of file PseudocontactShiftTensor.hh.

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

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

Definition at line 69 of file PseudocontactShiftTensor.hh.

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

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

Definition at line 59 of file PseudocontactShiftTensor.hh.

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

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

Definition at line 71 of file PseudocontactShiftTensor.hh.

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

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

Definition at line 61 of file PseudocontactShiftTensor.hh.

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

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