protocols::scoring::methods::pcsTs4 Namespace Reference

Classes
class	GridSearchIterator_Ts4
class	PCS_data_input_manager_Ts4
class	PCS_data_input_Ts4
	PCS_data_input_Ts4 contain all the input information for the PCS. This includes all the information from the .npc files. More...
class	PCS_data_per_lanthanides_Ts4
class	PCS_data_Ts4
class	PCS_Energy_parameters_manager_Ts4
class	PCS_Energy_Ts4
class	PCS_file_data_Ts4
	PCS_file_data_Ts4 contain all the information of a .npc file one per lanthanide. More...
class	PCS_line_data_Ts4
	PCS_line_data_Ts4 class: hold a line of the input file information (.npc format) One PCS_line_data_Ts4 per line in the input file. More...
class	PCS_tensor_Ts4
class	PseudocontactShiftEnergyCreator_Ts4
class	TensorsOptimizer_Ts4

Typedefs
typedef utility::pointer::shared_ptr < GridSearchIterator_Ts4 >	GridSearchIterator_Ts4OP
typedef utility::pointer::shared_ptr < GridSearchIterator_Ts4 const >	GridSearchIterator_Ts4COP
typedef utility::pointer::shared_ptr < PCS_data_Ts4 >	PCS_data_Ts4OP
typedef utility::pointer::shared_ptr < PCS_Energy_Ts4 >	PCS_Energy_Ts4OP
typedef utility::pointer::shared_ptr < PCS_Energy_Ts4 const >	PCS_Energy_Ts4COP

Functions
static basic::Tracer	TR_pcs_d_p_l_Ts4 ("protocols.scoring.methods.pcsTs4.PCS_data_per_lanthanides_Ts4")
static basic::Tracer	TR_pcs_d_Ts4 ("protocols.scoring.methods.pcsTs4.PCS_data_Ts4")
void	fill_A_line (utility::vector1< core::Real > &A_line, core::Real const xM, core::Real const yM, core::Real const zM, core::Real const x, core::Real const y, core::Real const z)
std::ostream &	operator<< (std::ostream &out, const PCS_data_Ts4 &P_d)
std::ostream &	operator<< (std::ostream &out, const PCS_data_per_lanthanides_Ts4 &PCS_d_p_l)
static basic::Tracer	TR_PCS_Energy_Ts4 ("protocols.scoring.methods.pcsTs4.PCS_Energy_Ts4")
static basic::Tracer	TR_PCS_d_i_Ts4 ("protocols.scoring.methods.pcsTs4.PCS_data_input_Ts4")
std::ostream &	operator<< (std::ostream &out, const PCS_line_data_Ts4 &PCS_l_d)
std::ostream &	operator<< (std::ostream &out, const PCS_file_data_Ts4 &PCS_f_d)
std::ostream &	operator<< (std::ostream &out, const PCS_data_input_Ts4 &PCS_d_i)
std::ostream &	operator<< (std::ostream &out, const PCS_tensor_Ts4 &PCS_t)
static basic::Tracer	TR_tsr_opt_Ts4 ("protocols.scoring.methods.pcsTs4.TensorsOptimizer_Ts4")

Typedef Documentation

typedef utility::pointer::shared_ptr< GridSearchIterator_Ts4 const > protocols::scoring::methods::pcsTs4::GridSearchIterator_Ts4COP

typedef utility::pointer::shared_ptr< GridSearchIterator_Ts4 > protocols::scoring::methods::pcsTs4::GridSearchIterator_Ts4OP

typedef utility::pointer::shared_ptr< PCS_data_Ts4 > protocols::scoring::methods::pcsTs4::PCS_data_Ts4OP

typedef utility::pointer::shared_ptr< PCS_Energy_Ts4 const > protocols::scoring::methods::pcsTs4::PCS_Energy_Ts4COP

typedef utility::pointer::shared_ptr< PCS_Energy_Ts4 > protocols::scoring::methods::pcsTs4::PCS_Energy_Ts4OP

Function Documentation

void protocols::scoring::methods::pcsTs4::fill_A_line	(	utility::vector1< core::Real > &	A_line,
		core::Real const	xM,
		core::Real const	yM,
		core::Real const	zM,
		core::Real const	x,
		core::Real const	y,
		core::Real const	z
	)

References FACT_USI_PRECALC_FOR_A_3(), and protocols::hybridization::r2.

Referenced by protocols::scoring::methods::pcsTs4::TensorsOptimizer_Ts4::dfunc(), protocols::scoring::methods::pcsTs4::PCS_Energy_Ts4::dump_PCS_info(), protocols::scoring::methods::pcsTs4::TensorsOptimizer_Ts4::operator()(), protocols::scoring::methods::pcsTs4::PCS_Energy_Ts4::show_additional_info(), and protocols::scoring::methods::pcsTs4::PCS_data_Ts4::update_matrix_A_all().

std::ostream& protocols::scoring::methods::pcsTs4::operator<<	(	std::ostream &	out,
		const PCS_tensor_Ts4 &	PCS_t
	)

References protocols::scoring::methods::pcsTs4::PCS_tensor_Ts4::a_, protocols::scoring::methods::pcsTs4::PCS_tensor_Ts4::ax_, protocols::scoring::methods::pcsTs4::PCS_tensor_Ts4::b_, protocols::scoring::methods::pcsTs4::PCS_tensor_Ts4::chi_xx_, protocols::scoring::methods::pcsTs4::PCS_tensor_Ts4::chi_xy_, protocols::scoring::methods::pcsTs4::PCS_tensor_Ts4::chi_xz_, protocols::scoring::methods::pcsTs4::PCS_tensor_Ts4::chi_yy_, protocols::scoring::methods::pcsTs4::PCS_tensor_Ts4::chi_yz_, protocols::scoring::methods::pcsTs4::PCS_tensor_Ts4::delta_chi_zz(), protocols::scoring::methods::pcsTs4::PCS_tensor_Ts4::delta_X_xx(), protocols::scoring::methods::pcsTs4::PCS_tensor_Ts4::delta_X_yy(), protocols::scoring::methods::pcsTs4::PCS_tensor_Ts4::delta_X_zz(), protocols::scoring::methods::pcsTs4::PCS_tensor_Ts4::g_, protocols::scoring::methods::pcsTs4::PCS_tensor_Ts4::label_, core::conformation::membrane::out, and protocols::scoring::methods::pcsTs4::PCS_tensor_Ts4::rh_.

std::ostream& protocols::scoring::methods::pcsTs4::operator<<	(	std::ostream &	out,
		const PCS_line_data_Ts4 &	PCS_l_d
	)

References protocols::scoring::methods::pcsTs4::PCS_line_data_Ts4::atom_name(), core::conformation::membrane::out, protocols::scoring::methods::pcsTs4::PCS_line_data_Ts4::PCS_experimental(), protocols::scoring::methods::pcsTs4::PCS_line_data_Ts4::PCS_tolerance(), and protocols::scoring::methods::pcsTs4::PCS_line_data_Ts4::residue_num().

std::ostream& protocols::scoring::methods::pcsTs4::operator<<	(	std::ostream &	out,
		const PCS_file_data_Ts4 &	PCS_f_d
	)

References core::conformation::membrane::out, and protocols::scoring::methods::pcsTs4::PCS_file_data_Ts4::PCS_data_line_all_.

std::ostream& protocols::scoring::methods::pcsTs4::operator<<	(	std::ostream &	out,
		const PCS_data_input_Ts4 &	PCS_d_i
	)

References core::conformation::membrane::out, and protocols::scoring::methods::pcsTs4::PCS_data_input_Ts4::PCS_filename_and_data_.

std::ostream& protocols::scoring::methods::pcsTs4::operator<<	(	std::ostream &	out,
		const PCS_data_Ts4 &	P_d
	)

References protocols::scoring::methods::pcsTs4::PCS_data_Ts4::get_n_lanthanides(), protocols::scoring::methods::pcsTs4::PCS_data_Ts4::n_lanthanides_, protocols::scoring::methods::pcsTs4::PCS_data_Ts4::n_pcs_spin_, core::conformation::membrane::out, and protocols::scoring::methods::pcsTs4::PCS_data_Ts4::PCS_data_per_lanthanides_all_.

std::ostream& protocols::scoring::methods::pcsTs4::operator<<	(	std::ostream &	out,
		const PCS_data_per_lanthanides_Ts4 &	PCS_d_p_l
	)

References protocols::scoring::methods::pcsTs4::PCS_data_per_lanthanides_Ts4::A_index_, protocols::scoring::methods::pcsTs4::PCS_data_per_lanthanides_Ts4::fstyle_A_, protocols::scoring::methods::pcsTs4::PCS_data_per_lanthanides_Ts4::fstyle_b_, protocols::scoring::methods::pcsTs4::PCS_data_per_lanthanides_Ts4::get_filename(), protocols::scoring::methods::pcsTs4::PCS_data_per_lanthanides_Ts4::get_n_pcs(), protocols::scoring::methods::pcsTs4::PCS_data_per_lanthanides_Ts4::n_pcs_, and core::conformation::membrane::out.

static basic::Tracer protocols::scoring::methods::pcsTs4::TR_PCS_d_i_Ts4 ( "protocols.scoring.methods.pcsTs4.PCS_data_input_Ts4"  )

static

Referenced by protocols::scoring::methods::pcsTs4::PCS_data_input_manager_Ts4::get_input_data(), and protocols::scoring::methods::pcsTs4::PCS_file_data_Ts4::read_PCS_file().

static basic::Tracer protocols::scoring::methods::pcsTs4::TR_pcs_d_p_l_Ts4 ( "protocols.scoring.methods.pcsTs4.PCS_data_per_lanthanides_Ts4"  )

static

Referenced by protocols::scoring::methods::pcsTs4::PCS_data_per_lanthanides_Ts4::PCS_data_per_lanthanides_Ts4().

static basic::Tracer protocols::scoring::methods::pcsTs4::TR_pcs_d_Ts4 ( "protocols.scoring.methods.pcsTs4.PCS_data_Ts4"  )

static

Referenced by protocols::scoring::methods::pcsTs4::PCS_data_Ts4::PCS_data_Ts4().

static basic::Tracer protocols::scoring::methods::pcsTs4::TR_PCS_Energy_Ts4 ( "protocols.scoring.methods.pcsTs4.PCS_Energy_Ts4"  )

static

Referenced by protocols::scoring::methods::pcsTs4::PCS_Energy_Ts4::calculate_pcs_score(), and protocols::scoring::methods::pcsTs4::PCS_Energy_Ts4::PCS_data_from_pose().

static basic::Tracer protocols::scoring::methods::pcsTs4::TR_tsr_opt_Ts4 ( "protocols.scoring.methods.pcsTs4.TensorsOptimizer_Ts4"  )

static

Referenced by protocols::scoring::methods::pcsTs4::TensorsOptimizer_Ts4::operator()().