core::scoring::nmr::pcs::PCSSingleSet Member List

This is the complete list of members for core::scoring::nmr::pcs::PCSSingleSet, including all inherited members.

ave_type_	core::scoring::nmr::pcs::PCSSingleSet	private
basic_pcs_equation(utility::fixedsizearray1< Real, 5 > const &par, Vector const &spin_coord, Matrix const &rotM, Real const &scal=1.0)	core::scoring::nmr::pcs::PCSSingleSet	private
COMPUTATION_TYPE enum name	core::scoring::nmr::pcs::PCSSingleSet
computation_type_	core::scoring::nmr::pcs::PCSSingleSet	private
compute_pcs_values_and_score_from_tensor(PCSTensor const &tensor)	core::scoring::nmr::pcs::PCSSingleSet
compute_pcs_values_and_score_from_tensor()	core::scoring::nmr::pcs::PCSSingleSet
convert_string_to_computation_type(std::string const &computation_type)	core::scoring::nmr::pcs::PCSSingleSet	private
dataset_name_	core::scoring::nmr::pcs::PCSSingleSet	private
fill_matrix_A_row(utility::fixedsizearray1< Real, 5 > &A_row, utility::vector1< Vector > const &spin_coords, Vector const &metal_coord, Real const &scal=1.0)	core::scoring::nmr::pcs::PCSSingleSet	private
fpcs(Real const *par, utility::vector1< Vector > const &spin_coord, Matrix const &rotM, Real const &scal=1.0)	core::scoring::nmr::pcs::PCSSingleSet	private
fpcs_Xax(Real const *par, Real const &Xax, utility::vector1< Vector > const &spin_coord, Matrix const &rotM, Real const &scal=1.0)	core::scoring::nmr::pcs::PCSSingleSet	private
fpcs_Xax_Xrh(Real const *par, Real const &Xax, Real const &Xrh, utility::vector1< Vector > const &spin_coord, Matrix const &rotM, Real const &scal=1.0)	core::scoring::nmr::pcs::PCSSingleSet	private
fpcs_Xrh(Real const *par, Real const &Xrh, utility::vector1< Vector > const &spin_coord, Matrix const &rotM, Real const &scal=1.0)	core::scoring::nmr::pcs::PCSSingleSet	private
get_averaging_type() const	core::scoring::nmr::pcs::PCSSingleSet	inline
get_computation_type() const	core::scoring::nmr::pcs::PCSSingleSet	inline
get_dataset_name() const	core::scoring::nmr::pcs::PCSSingleSet	inline
get_matrix_A() const	core::scoring::nmr::pcs::PCSSingleSet	inline
get_metal_coord_bounds() const	core::scoring::nmr::pcs::PCSSingleSet	inline
get_metal_ion_label() const	core::scoring::nmr::pcs::PCSSingleSet	inline
get_number_pcs() const	core::scoring::nmr::pcs::PCSSingleSet	inline
get_pcs_single_weights() const	core::scoring::nmr::pcs::PCSSingleSet	inline
get_pcs_values() const	core::scoring::nmr::pcs::PCSSingleSet	inline
get_scaling_factor() const	core::scoring::nmr::pcs::PCSSingleSet	inline
get_single_pcs_vec() const	core::scoring::nmr::pcs::PCSSingleSet	inline
get_spin_coordinates() const	core::scoring::nmr::pcs::PCSSingleSet	inline
get_tensor()	core::scoring::nmr::pcs::PCSSingleSet	inline
get_tensor_const() const	core::scoring::nmr::pcs::PCSSingleSet	inline
get_weight() const	core::scoring::nmr::pcs::PCSSingleSet	inline
init_from_cml()	core::scoring::nmr::pcs::PCSSingleSet	private
init_from_pcs_filedata(std::string const &filename, pose::Pose const &pose)	core::scoring::nmr::pcs::PCSSingleSet	private
matrix_A_	core::scoring::nmr::pcs::PCSSingleSet	private
metal_coord_bounds_	core::scoring::nmr::pcs::PCSSingleSet	private
metal_ion_label_	core::scoring::nmr::pcs::PCSSingleSet	private
NLS enum value	core::scoring::nmr::pcs::PCSSingleSet
nls_repeats_	core::scoring::nmr::pcs::PCSSingleSet	private
NLSAX enum value	core::scoring::nmr::pcs::PCSSingleSet
NLSAXRH enum value	core::scoring::nmr::pcs::PCSSingleSet
NLSRH enum value	core::scoring::nmr::pcs::PCSSingleSet
normalized_data() const	core::scoring::nmr::pcs::PCSSingleSet	inline
normalized_data_	core::scoring::nmr::pcs::PCSSingleSet	private
number_pcs_	core::scoring::nmr::pcs::PCSSingleSet	private
operator=(PCSSingleSet const &rhs)	core::scoring::nmr::pcs::PCSSingleSet
pcs_erf(Real const *par, int m_dat, void const *data, Real *fvec, int *)	core::scoring::nmr::pcs::PCSSingleSet	friend
pcs_single_vec_	core::scoring::nmr::pcs::PCSSingleSet	private
pcs_single_weights_	core::scoring::nmr::pcs::PCSSingleSet	private
pcs_values_	core::scoring::nmr::pcs::PCSSingleSet	private
PCSSingleSet(std::string const &filename, std::string const &metal_ion_label, pose::Pose const &pose)	core::scoring::nmr::pcs::PCSSingleSet
PCSSingleSet(std::string const &filename, std::string const &metal_ion_label, pose::Pose const &pose, Real const weight, std::string single_pcs_weigting="CONST", std::string computation_type="SVD")	core::scoring::nmr::pcs::PCSSingleSet
PCSSingleSet(PCSSingleSet const &other)	core::scoring::nmr::pcs::PCSSingleSet
PCSSingleSet()	core::scoring::nmr::pcs::PCSSingleSet	private
register_options()	core::scoring::nmr::pcs::PCSSingleSet	private
scaling_factor_	core::scoring::nmr::pcs::PCSSingleSet	private
set_atom_derivatives(pose::Pose &pose)	core::scoring::nmr::pcs::PCSSingleSet
set_averaging_type(std::string const &type)	core::scoring::nmr::pcs::PCSSingleSet
set_computation_type(std::string const &type)	core::scoring::nmr::pcs::PCSSingleSet
set_metal_coord_bounds(utility::fixedsizearray1< Real, 6 > const &metal_coord_bounds)	core::scoring::nmr::pcs::PCSSingleSet	inline
set_tensor(PCSTensorOP const &tensor)	core::scoring::nmr::pcs::PCSSingleSet	inline
set_weight(Real weight)	core::scoring::nmr::pcs::PCSSingleSet	inline
show(std::ostream &TR) const	core::scoring::nmr::pcs::PCSSingleSet
single_pcs_weighting_scheme_	core::scoring::nmr::pcs::PCSSingleSet	private
solve_tensor_and_compute_score_by_nls(Vector const &metal_coord)	core::scoring::nmr::pcs::PCSSingleSet
solve_tensor_and_compute_score_by_svd(Vector const &metal_coord)	core::scoring::nmr::pcs::PCSSingleSet
spin_coordinates_	core::scoring::nmr::pcs::PCSSingleSet	private
SVD enum value	core::scoring::nmr::pcs::PCSSingleSet
svd_solver_	core::scoring::nmr::pcs::PCSSingleSet	private
symmetric_pcs_calc() const	core::scoring::nmr::pcs::PCSSingleSet	inline
symmetric_pcs_calc_	core::scoring::nmr::pcs::PCSSingleSet	private
tensor_	core::scoring::nmr::pcs::PCSSingleSet	private
update_matrix_A(Vector const &metal_coord)	core::scoring::nmr::pcs::PCSSingleSet
update_spin_coordinates(pose::Pose const &pose)	core::scoring::nmr::pcs::PCSSingleSet
weight_	core::scoring::nmr::pcs::PCSSingleSet	private
~PCSSingleSet()	core::scoring::nmr::pcs::PCSSingleSet