core::scoring::nmr::pre::PREMultiSet Member List

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

ave_type_	core::scoring::nmr::pre::PREMultiSet	private
calc_dr6_dS2_dXYZ(WeightCoordVector const &spinlabel_counts_coords, CoordVector const &eq_spins_coords, Vector &dr6_dXYZ, Vector &dS2_dXYZ) const	core::scoring::nmr::pre::PREMultiSet	private
calc_omega_E(Real const &field_strength) const	core::scoring::nmr::pre::PREMultiSet	private
calc_r6_S2(WeightCoordVector const &spinlabel_counts_coords, CoordVector const &eq_spins_coords, Real &one_over_r6, Real &S2) const	core::scoring::nmr::pre::PREMultiSet	private
calc_tau_c() const	core::scoring::nmr::pre::PREMultiSet	private
calc_theoretical_tau_r() const	core::scoring::nmr::pre::PREMultiSet	private
compute_pre_score_from_current_data(bool use_sb=false)	core::scoring::nmr::pre::PREMultiSet	private
compute_pre_score_from_point_vector(WeightCoordVector const &points)	core::scoring::nmr::pre::PREMultiSet
compute_pre_score_from_single_point(Vector &point, bool opt_sl_pos=false)	core::scoring::nmr::pre::PREMultiSet
CoordVector typedef	core::scoring::nmr::pre::PREMultiSet
create_para_ion_from_string(std::string const &iontype)	core::scoring::nmr::pre::PREMultiSet	private
deep_copy_pre_singleset_vec(utility::vector1< PRESingleSetOP > const &other_vec)	core::scoring::nmr::pre::PREMultiSet	private
dJ_dXYZ_SB(Real const &omega_I, Real const &tau_c, Vector const &dr6_dXYZ) const	core::scoring::nmr::pre::PREMultiSet	private
dJ_dXYZ_SBMF(Real const &omega_I, Real const &tau_c, Real const &tau_t, Real const &one_over_r6, Real const &S2, Vector const &dr6_dXYZ, Vector const &dS2_dXYZ) const	core::scoring::nmr::pre::PREMultiSet	private
dR1_dXYZ(Vec6 const &params, Real const &one_over_r6, Real const &S2, Vector const &dr6_dXYZ, Vector const &dS2_dXYZ, Real const &scaling=1.0, bool use_sb=false) const	core::scoring::nmr::pre::PREMultiSet	private
dR2_dXYZ(Vec6 const &params, Real const &one_over_r6, Real const &S2, Vector const &dr6_dXYZ, Vector const &dS2_dXYZ, Real const &scaling=1.0, bool use_sb=false) const	core::scoring::nmr::pre::PREMultiSet	private
find_para_ion_position_and_compute_pre_score(pose::Pose const &pose, WeightCoordVector &spinlabel_counts_coords)	core::scoring::nmr::pre::PREMultiSet
get_averaging_type() const	core::scoring::nmr::pre::PREMultiSet	inline
get_gridsearch_iterator()	core::scoring::nmr::pre::PREMultiSet	inline
get_ion_type() const	core::scoring::nmr::pre::PREMultiSet	inline
get_number_experiments() const	core::scoring::nmr::pre::PREMultiSet	inline
get_pre_single_weights() const	core::scoring::nmr::pre::PREMultiSet	inline
get_pre_singleset_vec()	core::scoring::nmr::pre::PREMultiSet	inline
get_pre_singleset_vec() const	core::scoring::nmr::pre::PREMultiSet	inline
get_pre_values() const	core::scoring::nmr::pre::PREMultiSet	inline
get_protein_mass() const	core::scoring::nmr::pre::PREMultiSet	inline
get_spin_coordinates() const	core::scoring::nmr::pre::PREMultiSet	inline
get_spinlabel()	core::scoring::nmr::pre::PREMultiSet	inline
get_spinlabel_site_rsd() const	core::scoring::nmr::pre::PREMultiSet	inline
get_tau_c() const	core::scoring::nmr::pre::PREMultiSet	inline
get_tau_c_max() const	core::scoring::nmr::pre::PREMultiSet	inline
get_tau_c_min() const	core::scoring::nmr::pre::PREMultiSet	inline
get_tau_r() const	core::scoring::nmr::pre::PREMultiSet	inline
get_tau_t() const	core::scoring::nmr::pre::PREMultiSet	inline
get_temperature() const	core::scoring::nmr::pre::PREMultiSet	inline
get_total_number_pre() const	core::scoring::nmr::pre::PREMultiSet	inline
get_weight() const	core::scoring::nmr::pre::PREMultiSet	inline
gridsearch_iterator_	core::scoring::nmr::pre::PREMultiSet	private
init_from_cml()	core::scoring::nmr::pre::PREMultiSet	private
init_from_pre_singleset_vec(utility::vector1< PRESingleSetOP > const &pre_singleset_vec, pose::Pose const &pose)	core::scoring::nmr::pre::PREMultiSet	private
ion_type_	core::scoring::nmr::pre::PREMultiSet	private
J_SB(Real const &omega_I, Real const &tau_c, Real const &one_over_r6) const	core::scoring::nmr::pre::PREMultiSet	private
J_SBMF(Real const &omega_I, Real const &tau_c, Real const &tau_t, Real const &one_over_r6, Real const &S2) const	core::scoring::nmr::pre::PREMultiSet	private
nls_repeats_	core::scoring::nmr::pre::PREMultiSet	private
number_experiments_	core::scoring::nmr::pre::PREMultiSet	private
one_over_r6_values_	core::scoring::nmr::pre::PREMultiSet	private
operator=(PREMultiSet const &rhs)	core::scoring::nmr::pre::PREMultiSet
opt_para_ion_pos_	core::scoring::nmr::pre::PREMultiSet	private
optimize_paraion_position() const	core::scoring::nmr::pre::PREMultiSet	inline
ParaIon typedef	core::scoring::nmr::pre::PREMultiSet
ParaIonCOP typedef	core::scoring::nmr::pre::PREMultiSet
ParaIonOP typedef	core::scoring::nmr::pre::PREMultiSet
PRE_Curie_prefactor(Real const &gamma_I, Real const &gJ, Real const &S, Real const &B0, Real const &T, PRE_RATE_TYPE const &rate_type) const	core::scoring::nmr::pre::PREMultiSet	private
PRE_DD_prefactor(Real const &gamma_I, Real const &gJ, Real const &S, PRE_RATE_TYPE const &rate_type) const	core::scoring::nmr::pre::PREMultiSet	private
pre_erf_opt_tau(Real const *par, int m_dat, void const *data, Real *fvec, int *)	core::scoring::nmr::pre::PREMultiSet	friend
pre_erf_opt_tau_xyz(Real const *par, int m_dat, void const *data, Real *fvec, int *)	core::scoring::nmr::pre::PREMultiSet	friend
pre_single_weights_	core::scoring::nmr::pre::PREMultiSet	private
pre_singleset_vec_	core::scoring::nmr::pre::PREMultiSet	private
pre_values_	core::scoring::nmr::pre::PREMultiSet	private
PREMultiSet(utility::vector1< PRESingleSetOP > const &pre_singleset_vec, pose::Pose const &pose, Size const spinlabel_site, std::string const &iontype, Real const weight=1.0)	core::scoring::nmr::pre::PREMultiSet
PREMultiSet(utility::vector1< PRESingleSetOP > const &pre_singleset_vec, pose::Pose const &pose, Size const spinlabel_site, std::string const &iontype, NMRSpinlabelOP spinlabel_ptr, Real const weight=1.0)	core::scoring::nmr::pre::PREMultiSet
PREMultiSet(utility::vector1< PRESingleSetOP > const &pre_singleset_vec, pose::Pose const &pose, Size const spinlabel_site, std::string const &iontype, NMRGridSearchOP gridsearch_ptr, Real const weight=1.0)	core::scoring::nmr::pre::PREMultiSet
PREMultiSet(PREMultiSet const &other)	core::scoring::nmr::pre::PREMultiSet
PREMultiSet()	core::scoring::nmr::pre::PREMultiSet	private
protein_mass_	core::scoring::nmr::pre::PREMultiSet	private
R1_Para(Vec6 const &params, Real const &one_over_r6, Real const &S2, Real const &scaling=1.0, bool use_sb=false) const	core::scoring::nmr::pre::PREMultiSet	private
R2_Para(Vec6 const &params, Real const &one_over_r6, Real const &S2, Real const &scaling=1.0, bool use_sb=false) const	core::scoring::nmr::pre::PREMultiSet	private
RealVector3D typedef	core::scoring::nmr::pre::PREMultiSet
register_options()	core::scoring::nmr::pre::PREMultiSet	private
resize_r6_S2_values()	core::scoring::nmr::pre::PREMultiSet	private
s2_values_	core::scoring::nmr::pre::PREMultiSet	private
set_atom_derivatives(pose::Pose &pose, WeightCoordVector const &spinlabel_counts_coords)	core::scoring::nmr::pre::PREMultiSet
set_averaging_type(std::string const &type)	core::scoring::nmr::pre::PREMultiSet
set_default_spinlabel()	core::scoring::nmr::pre::PREMultiSet	private
set_exp_default_conditions()	core::scoring::nmr::pre::PREMultiSet	private
set_gridsearch_iterator(NMRGridSearchOP gridsearch_ptr)	core::scoring::nmr::pre::PREMultiSet	inline
set_protein_mass(Real mass)	core::scoring::nmr::pre::PREMultiSet	inline
set_spinlabel(NMRSpinlabelOP spinlabel_ptr)	core::scoring::nmr::pre::PREMultiSet	inline
set_tau_c(Real tau_c)	core::scoring::nmr::pre::PREMultiSet	inline
set_tau_c_limits(Real tau_c_min, Real tau_c_max)	core::scoring::nmr::pre::PREMultiSet	inline
set_tau_r(Real tau_r)	core::scoring::nmr::pre::PREMultiSet	inline
set_tau_t(Real tau_t)	core::scoring::nmr::pre::PREMultiSet	inline
set_temperature(Real temperature)	core::scoring::nmr::pre::PREMultiSet	inline
set_weight(Real weight)	core::scoring::nmr::pre::PREMultiSet	inline
show(std::ostream &TR) const	core::scoring::nmr::pre::PREMultiSet
spin_coordinates_	core::scoring::nmr::pre::PREMultiSet	private
spinlabel_	core::scoring::nmr::pre::PREMultiSet	private
spinlabel_site_rsd_	core::scoring::nmr::pre::PREMultiSet	private
symmetric_pre_calc() const	core::scoring::nmr::pre::PREMultiSet	inline
symmetric_pre_calc_	core::scoring::nmr::pre::PREMultiSet	private
tau_c_	core::scoring::nmr::pre::PREMultiSet	private
tau_c_max_	core::scoring::nmr::pre::PREMultiSet	private
tau_c_min_	core::scoring::nmr::pre::PREMultiSet	private
tau_r_	core::scoring::nmr::pre::PREMultiSet	private
tau_t_	core::scoring::nmr::pre::PREMultiSet	private
temperature_	core::scoring::nmr::pre::PREMultiSet	private
total_number_pres_	core::scoring::nmr::pre::PREMultiSet	private
update_r6_S2_values(WeightCoordVector const &spinlabel_counts_coords)	core::scoring::nmr::pre::PREMultiSet	private
update_spin_coordinates(pose::Pose const &pose)	core::scoring::nmr::pre::PREMultiSet
Vec6 typedef	core::scoring::nmr::pre::PREMultiSet
weight_	core::scoring::nmr::pre::PREMultiSet	private
WeightCoordVector typedef	core::scoring::nmr::pre::PREMultiSet
~PREMultiSet()	core::scoring::nmr::pre::PREMultiSet