protocols::scoring::methods::pcsTs3 Namespace Reference

Classes
class	GridSearchIterator_Ts3
class	PCS_data_input_manager_Ts3
class	PCS_data_input_Ts3
	PCS_data_input_Ts3 contain all the input information for the PCS. This includes all the information from the .npc files. More...
class	PCS_data_per_lanthanides_Ts3
class	PCS_data_Ts3
class	PCS_Energy_parameters_manager_Ts3
class	PCS_Energy_Ts3
class	PCS_file_data_Ts3
	PCS_file_data_Ts3 contain all the information of a .npc file one per lanthanide. More...
class	PCS_line_data_Ts3
	PCS_line_data_Ts3 class: hold a line of the input file information (.npc format) One PCS_line_data_Ts3 per line in the input file. More...
class	PCS_tensor_Ts3
class	PseudocontactShiftEnergyCreator_Ts3
class	TensorsOptimizer_Ts3

Typedefs
typedef utility::pointer::shared_ptr < GridSearchIterator_Ts3 >	GridSearchIterator_Ts3OP
typedef utility::pointer::shared_ptr < GridSearchIterator_Ts3 const >	GridSearchIterator_Ts3COP
typedef utility::pointer::shared_ptr < PCS_data_Ts3 >	PCS_data_Ts3OP
typedef utility::pointer::shared_ptr < PCS_Energy_Ts3 >	PCS_Energy_Ts3OP
typedef utility::pointer::shared_ptr < PCS_Energy_Ts3 const >	PCS_Energy_Ts3COP

Functions
static basic::Tracer	TR_pcs_d_p_l_Ts3 ("protocols.scoring.methods.pcsTs3.PCS_data_per_lanthanides_Ts3")
static basic::Tracer	TR_pcs_d_Ts3 ("protocols.scoring.methods.pcsTs3.PCS_data_Ts3")
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_Ts3 &P_d)
std::ostream &	operator<< (std::ostream &out, const PCS_data_per_lanthanides_Ts3 &PCS_d_p_l)
static basic::Tracer	TR_PCS_Energy_Ts3 ("protocols.scoring.methods.pcsTs3.PCS_Energy_Ts3")
static basic::Tracer	TR_PCS_d_i_Ts3 ("protocols.scoring.methods.pcsTs3.PCS_data_input_Ts3")
std::ostream &	operator<< (std::ostream &out, const PCS_line_data_Ts3 &PCS_l_d)
std::ostream &	operator<< (std::ostream &out, const PCS_file_data_Ts3 &PCS_f_d)
std::ostream &	operator<< (std::ostream &out, const PCS_data_input_Ts3 &PCS_d_i)
std::ostream &	operator<< (std::ostream &out, const PCS_tensor_Ts3 &PCS_t)
static basic::Tracer	TR_tsr_opt_Ts3 ("protocols.scoring.methods.pcsTs3.TensorsOptimizer_Ts3")

Typedef Documentation

typedef utility::pointer::shared_ptr< GridSearchIterator_Ts3 const > protocols::scoring::methods::pcsTs3::GridSearchIterator_Ts3COP

typedef utility::pointer::shared_ptr< GridSearchIterator_Ts3 > protocols::scoring::methods::pcsTs3::GridSearchIterator_Ts3OP

typedef utility::pointer::shared_ptr< PCS_data_Ts3 > protocols::scoring::methods::pcsTs3::PCS_data_Ts3OP

typedef utility::pointer::shared_ptr< PCS_Energy_Ts3 const > protocols::scoring::methods::pcsTs3::PCS_Energy_Ts3COP

typedef utility::pointer::shared_ptr< PCS_Energy_Ts3 > protocols::scoring::methods::pcsTs3::PCS_Energy_Ts3OP

Function Documentation

void protocols::scoring::methods::pcsTs3::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::pcsTs3::TensorsOptimizer_Ts3::dfunc(), protocols::scoring::methods::pcsTs3::PCS_Energy_Ts3::dump_PCS_info(), protocols::scoring::methods::pcsTs3::TensorsOptimizer_Ts3::operator()(), protocols::scoring::methods::pcsTs3::PCS_Energy_Ts3::show_additional_info(), and protocols::scoring::methods::pcsTs3::PCS_data_Ts3::update_matrix_A_all().

std::ostream& protocols::scoring::methods::pcsTs3::operator<<	(	std::ostream &	out,
		const PCS_tensor_Ts3 &	PCS_t
	)

References protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::a_, protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::ax_, protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::b_, protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::chi_xx_, protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::chi_xy_, protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::chi_xz_, protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::chi_yy_, protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::chi_yz_, protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::delta_chi_zz(), protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::delta_X_xx(), protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::delta_X_yy(), protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::delta_X_zz(), protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::g_, protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::label_, core::conformation::membrane::out, and protocols::scoring::methods::pcsTs3::PCS_tensor_Ts3::rh_.

std::ostream& protocols::scoring::methods::pcsTs3::operator<<	(	std::ostream &	out,
		const PCS_line_data_Ts3 &	PCS_l_d
	)

References protocols::scoring::methods::pcsTs3::PCS_line_data_Ts3::atom_name(), core::conformation::membrane::out, protocols::scoring::methods::pcsTs3::PCS_line_data_Ts3::PCS_experimental(), protocols::scoring::methods::pcsTs3::PCS_line_data_Ts3::PCS_tolerance(), and protocols::scoring::methods::pcsTs3::PCS_line_data_Ts3::residue_num().

std::ostream& protocols::scoring::methods::pcsTs3::operator<<	(	std::ostream &	out,
		const PCS_file_data_Ts3 &	PCS_f_d
	)

References core::conformation::membrane::out, and protocols::scoring::methods::pcsTs3::PCS_file_data_Ts3::PCS_data_line_all_.

std::ostream& protocols::scoring::methods::pcsTs3::operator<<	(	std::ostream &	out,
		const PCS_data_input_Ts3 &	PCS_d_i
	)

References core::conformation::membrane::out, and protocols::scoring::methods::pcsTs3::PCS_data_input_Ts3::PCS_filename_and_data_.

std::ostream& protocols::scoring::methods::pcsTs3::operator<<	(	std::ostream &	out,
		const PCS_data_Ts3 &	P_d
	)

References protocols::scoring::methods::pcsTs3::PCS_data_Ts3::get_n_lanthanides(), protocols::scoring::methods::pcsTs3::PCS_data_Ts3::n_lanthanides_, protocols::scoring::methods::pcsTs3::PCS_data_Ts3::n_pcs_spin_, core::conformation::membrane::out, and protocols::scoring::methods::pcsTs3::PCS_data_Ts3::PCS_data_per_lanthanides_all_.

std::ostream& protocols::scoring::methods::pcsTs3::operator<<	(	std::ostream &	out,
		const PCS_data_per_lanthanides_Ts3 &	PCS_d_p_l
	)

References protocols::scoring::methods::pcsTs3::PCS_data_per_lanthanides_Ts3::A_index_, protocols::scoring::methods::pcsTs3::PCS_data_per_lanthanides_Ts3::fstyle_A_, protocols::scoring::methods::pcsTs3::PCS_data_per_lanthanides_Ts3::fstyle_b_, protocols::scoring::methods::pcsTs3::PCS_data_per_lanthanides_Ts3::get_filename(), protocols::scoring::methods::pcsTs3::PCS_data_per_lanthanides_Ts3::get_n_pcs(), protocols::scoring::methods::pcsTs3::PCS_data_per_lanthanides_Ts3::n_pcs_, and core::conformation::membrane::out.

static basic::Tracer protocols::scoring::methods::pcsTs3::TR_PCS_d_i_Ts3 ( "protocols.scoring.methods.pcsTs3.PCS_data_input_Ts3"  )

static

Referenced by protocols::scoring::methods::pcsTs3::PCS_data_input_manager_Ts3::get_input_data(), and protocols::scoring::methods::pcsTs3::PCS_file_data_Ts3::read_PCS_file().

static basic::Tracer protocols::scoring::methods::pcsTs3::TR_pcs_d_p_l_Ts3 ( "protocols.scoring.methods.pcsTs3.PCS_data_per_lanthanides_Ts3"  )

static

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

static basic::Tracer protocols::scoring::methods::pcsTs3::TR_pcs_d_Ts3 ( "protocols.scoring.methods.pcsTs3.PCS_data_Ts3"  )

static

Referenced by protocols::scoring::methods::pcsTs3::PCS_data_Ts3::PCS_data_Ts3().

static basic::Tracer protocols::scoring::methods::pcsTs3::TR_PCS_Energy_Ts3 ( "protocols.scoring.methods.pcsTs3.PCS_Energy_Ts3"  )

static

Referenced by protocols::scoring::methods::pcsTs3::PCS_Energy_Ts3::calculate_pcs_score(), and protocols::scoring::methods::pcsTs3::PCS_Energy_Ts3::PCS_data_from_pose().

static basic::Tracer protocols::scoring::methods::pcsTs3::TR_tsr_opt_Ts3 ( "protocols.scoring.methods.pcsTs3.TensorsOptimizer_Ts3"  )

static

Referenced by protocols::scoring::methods::pcsTs3::TensorsOptimizer_Ts3::operator()().