Rosetta Core  2014.35
core::scoring::etable::Etable Member List

This is the complete list of members for core::scoring::etable::Etable, including all inherited members.

add_long_range_dampingcore::scoring::etable::Etableprivate
analytic_etable_derivatives(conformation::Atom const &at1, conformation::Atom const &at2, Real &dljatrE_ddis, Real &dljrepE_ddis, Real &dfasolE_ddis, Real &inv_d) const core::scoring::etable::Etableinline
analytic_etable_evaluation(conformation::Atom const &at1, conformation::Atom const &at2, Real &lj_atrE, Real &lj_repE, Real &fa_solE, Real &d2) const core::scoring::etable::Etableinline
analytic_lj_generic_form(Real const dis2, Real const inv_dis2, EtableParamsOnePair const &p) const core::scoring::etable::Etableinlineprivate
analytic_ljatr_cubic_poly_ramp_to_zero(Real const dis, EtableParamsOnePair const &p) const core::scoring::etable::Etableinlineprivate
analytic_ljatr_cubic_poly_ramp_to_zero_deriv(Real const dis, EtableParamsOnePair const &p) const core::scoring::etable::Etableinlineprivate
analytic_ljrep_linearized(Real const dis, EtableParamsOnePair const &p) const core::scoring::etable::Etableinlineprivate
analytic_lk_derivatives(conformation::Atom const &at1, conformation::Atom const &at2, Real &dfasolE1_ddis, Real &dfasolE2_ddis, Real &inv_d) const core::scoring::etable::Etableinline
analytic_lk_energy(conformation::Atom const &at1, conformation::Atom const &at2, Real &fa_solE1, Real &fa_solE2) const core::scoring::etable::Etableinline
analytic_lk_evaluation(int const atype1, int const atype2, EtableParamsOnePair const &p, Real const dis, Real const inv_dis2, Real &fa_solE) const core::scoring::etable::Etableinlineprivate
analytic_lk_evaluation_individual(int const atype1, int const atype2, EtableParamsOnePair const &p, Real const dis, Real const inv_dis2, Real &fa_solE1, Real &fa_solE2) const core::scoring::etable::Etableinlineprivate
analytic_parameterscore::scoring::etable::Etableprivate
analytic_params_for_pair(Size atype1, Size atype2) const core::scoring::etable::Etableinline
analytic_params_for_pair(Size atype1, Size atype2)core::scoring::etable::Etableinlineprivate
assign_parameters_to_full_etables(Size atype1, Size atype2, ObjexxFCL::FArray1A< Real > ljatr, ObjexxFCL::FArray1A< Real > dljatr, ObjexxFCL::FArray1A< Real > ljrep, ObjexxFCL::FArray1A< Real > dljrep, ObjexxFCL::FArray1A< Real > fasol1, ObjexxFCL::FArray1A< Real > fasol2, ObjexxFCL::FArray1A< Real > dfasol, ObjexxFCL::FArray1A< Real > dfasol1)core::scoring::etable::Etableprivate
atom_set() const core::scoring::etable::Etableinline
atom_set_core::scoring::etable::Etableprivate
atom_type(int const type)core::scoring::etable::Etableinlineprivate
bins_per_A2core::scoring::etable::Etableprivate
calc_etable_value(Real dis2, int atype1, int atype2, Real &atrE, Real &d_atrE, Real &repE, Real &d_repE, Real &solvE1, Real &solvE2, Real &dsolvE1, Real &dsolvE2) const core::scoring::etable::Etableprivate
calculate_hydrogen_atom_reach()core::scoring::etable::Etableprivate
calculate_nblist_distance_thresholds(EtableOptions const &options)core::scoring::etable::Etableprivate
calculate_normal_disbins() const core::scoring::etable::Etableprivate
carbon_typescore::scoring::etable::Etableprivate
cubic_polynomial_deriv(Real const x, CubicPolynomial const &cp)core::scoring::etable::Etableinlinestatic
cubic_polynomial_from_spline(Real xlo, Real xhi, SplineParameters const &sp)core::scoring::etable::Etablestatic
damp_long_range(int const normal_disbins, ObjexxFCL::FArray1A< Real > ljatr, ObjexxFCL::FArray1A< Real > dljatr, ObjexxFCL::FArray1A< Real > ljrep, ObjexxFCL::FArray1A< Real > dljrep, ObjexxFCL::FArray1A< Real > fasol1, ObjexxFCL::FArray1A< Real > fasol2, ObjexxFCL::FArray1A< Real > dfasol, ObjexxFCL::FArray1A< Real > dfasol1)core::scoring::etable::Etableprivate
dimension_etable_arrays()core::scoring::etable::Etableprivate
dljatr() const core::scoring::etable::Etableinline
dljatr_core::scoring::etable::Etableprivate
dljrep() const core::scoring::etable::Etableinline
dljrep_core::scoring::etable::Etableprivate
dsolv() const core::scoring::etable::Etableinline
dsolv1() const core::scoring::etable::Etableinline
dsolv1_core::scoring::etable::Etableprivate
dsolv_core::scoring::etable::Etableprivate
epsiloncore::scoring::etable::Etableprivate
Etable(chemical::AtomTypeSetCAP atom_set_in, EtableOptions const &options, std::string const alternate_parameter_set="")core::scoring::etable::Etable
etable_disbinscore::scoring::etable::Etableprivate
eval_cubic_polynomial(Real const x, CubicPolynomial const &sp)core::scoring::etable::Etableinlinestatic
fasol_cubic_poly_far_xhi() const core::scoring::etable::Etableinline
fasol_cubic_poly_far_xhi_core::scoring::etable::Etableprivate
fasol_cubic_poly_far_xlo() const core::scoring::etable::Etableinline
fasol_cubic_poly_far_xlo_core::scoring::etable::Etableprivate
get_bins_per_A2() const core::scoring::etable::Etableinline
get_lj_hbond_hdis() const core::scoring::etable::Etableinline
get_lj_hbond_OH_donor_dis() const core::scoring::etable::Etableinline
get_safe_max_dis2() const core::scoring::etable::Etableinline
hydrogen_interaction_cutoff2() const core::scoring::etable::Etableinline
hydrogen_interaction_cutoff2_core::scoring::etable::Etableprivate
initialize_carbontypes_to_linearize_fasol()core::scoring::etable::Etableprivate
initialize_from_input_atomset(chemical::AtomTypeSetCAP atom_set_in)core::scoring::etable::Etableprivate
input_etable(ObjexxFCL::FArray3D< Real > &etable, const std::string label, std::istream &in)core::scoring::etable::Etableprivate
interpolated_analytic_etable_evaluation(conformation::Atom const &at1, conformation::Atom const &at2, Real &lj_atrE, Real &lj_repE, Real &fa_solE, Real &d2) const core::scoring::etable::Etable
lj_hbond_discore::scoring::etable::Etableprivate
lj_hbond_hdiscore::scoring::etable::Etableprivate
lj_hbond_OH_donor_discore::scoring::etable::Etableprivate
lj_r12_coeff_core::scoring::etable::Etableprivate
lj_r6_coeff_core::scoring::etable::Etableprivate
lj_radius(int const i) const core::scoring::etable::Etableinline
lj_radius_core::scoring::etable::Etableprivate
lj_sigma_core::scoring::etable::Etableprivate
lj_slope_interceptcore::scoring::etable::Etableprivate
lj_switch_dis2sigmacore::scoring::etable::Etableprivate
lj_switch_intercept_core::scoring::etable::Etableprivate
lj_switch_sigma2discore::scoring::etable::Etableprivate
lj_switch_slope_core::scoring::etable::Etableprivate
lj_switch_slope_sigma2wdepthcore::scoring::etable::Etableprivate
lj_switch_value2wdepthcore::scoring::etable::Etableprivate
lj_use_hbond_radiicore::scoring::etable::Etableprivate
lj_use_lj_deriv_slopecore::scoring::etable::Etableprivate
lj_use_water_radiicore::scoring::etable::Etableprivate
lj_water_discore::scoring::etable::Etableprivate
lj_water_hdiscore::scoring::etable::Etableprivate
lj_wdepth(int const i) const core::scoring::etable::Etableinline
lj_wdepth_core::scoring::etable::Etableprivate
ljatr() const core::scoring::etable::Etableinline
ljatr_core::scoring::etable::Etableprivate
ljrep() const core::scoring::etable::Etableinline
ljrep_core::scoring::etable::Etableprivate
lk_coeff_core::scoring::etable::Etableprivate
lk_dgfree(int const i) const core::scoring::etable::Etableinline
lk_dgfree_core::scoring::etable::Etableprivate
lk_inv_lambda2(int const i) const core::scoring::etable::Etableinline
lk_inv_lambda2_core::scoring::etable::Etableprivate
lk_lambda(int const i) const core::scoring::etable::Etableinline
lk_lambda_core::scoring::etable::Etableprivate
lk_min_dis2sigmacore::scoring::etable::Etableprivate
lk_min_dis2sigma_value_core::scoring::etable::Etableprivate
lk_solv_energy_and_deriv(int atype1, int atype2, Real dis, Real &solvE1, Real &solvE2, Real &dsolvE1, Real &dsolvE2) const core::scoring::etable::Etableprivate
lk_volume(int const i) const core::scoring::etable::Etableinline
lk_volume_core::scoring::etable::Etableprivate
long_range_damping_lengthcore::scoring::etable::Etableprivate
make_pairenergy_table()core::scoring::etable::Etableprivate
max_dis() const core::scoring::etable::Etableinline
max_dis2core::scoring::etable::Etableprivate
max_dis_core::scoring::etable::Etableprivate
max_heavy_heavy_cutoff() const core::scoring::etable::Etableinline
max_heavy_hydrogen_cutoff() const core::scoring::etable::Etableinline
max_heavy_hydrogen_cutoff_core::scoring::etable::Etableprivate
max_hydrogen_hydrogen_cutoff() const core::scoring::etable::Etableinline
max_hydrogen_hydrogen_cutoff_core::scoring::etable::Etableprivate
max_hydrogen_lj_radius() const core::scoring::etable::Etable
max_hydrogen_lj_radius_core::scoring::etable::Etableprivate
max_non_hydrogen_lj_radius() const core::scoring::etable::Etable
max_non_hydrogen_lj_radius_core::scoring::etable::Etableprivate
min_discore::scoring::etable::Etableprivate
min_dis2core::scoring::etable::Etableprivate
modify_pot_one_pair(Size atype1, Size atype2, ObjexxFCL::FArray1A< Real > ljatr, ObjexxFCL::FArray1A< Real > dljatr, ObjexxFCL::FArray1A< Real > ljrep, ObjexxFCL::FArray1A< Real > dljrep, ObjexxFCL::FArray1A< Real > fasol1, ObjexxFCL::FArray1A< Real > fasol2, ObjexxFCL::FArray1A< Real > dfasol, ObjexxFCL::FArray1A< Real > dfasol1)core::scoring::etable::Etableprivate
n_atomtypes() const core::scoring::etable::Etableinline
n_atomtypes_core::scoring::etable::Etableprivate
nblist_dis2_cutoff_HH() const core::scoring::etable::Etableinline
nblist_dis2_cutoff_HH_core::scoring::etable::Etableprivate
nblist_dis2_cutoff_XH() const core::scoring::etable::Etableinline
nblist_dis2_cutoff_XH_core::scoring::etable::Etableprivate
nblist_dis2_cutoff_XX() const core::scoring::etable::Etableinline
nblist_dis2_cutoff_XX_core::scoring::etable::Etableprivate
output_etable(ObjexxFCL::FArray3D< Real > &etable, std::string label, std::ostream &out)core::scoring::etable::Etableprivate
precalc_etable_coefficients(ObjexxFCL::FArray2< Real > &lj_sigma, ObjexxFCL::FArray2< Real > &lj_r6_coeff, ObjexxFCL::FArray2< Real > &lj_r12_coeff, ObjexxFCL::FArray2< Real > &lj_switch_intercept, ObjexxFCL::FArray2< Real > &lj_switch_slope, ObjexxFCL::FArray1< Real > &lk_inv_lambda2, ObjexxFCL::FArray2< Real > &lk_coeff, ObjexxFCL::FArray2< Real > &lk_min_dis2sigma_value)core::scoring::etable::Etableprivate
read_alternate_parameter_set(chemical::AtomTypeSetCAP atom_set_in, std::string const alternate_parameter_set)core::scoring::etable::Etableprivate
safe_max_dis2core::scoring::etable::Etableprivate
slim_core::scoring::etable::Etableprivate
smooth_etables_one_pair(Size atype1, Size atype2, ObjexxFCL::FArray1A< Real > ljatr, ObjexxFCL::FArray1A< Real > dljatr, ObjexxFCL::FArray1A< Real > ljrep, ObjexxFCL::FArray1A< Real > dljrep, ObjexxFCL::FArray1A< Real > fasol1, ObjexxFCL::FArray1A< Real > fasol2, ObjexxFCL::FArray1A< Real > dfasol, ObjexxFCL::FArray1A< Real > dfasol1)core::scoring::etable::Etableprivate
solv1() const core::scoring::etable::Etableinline
solv1_core::scoring::etable::Etableprivate
solv2() const core::scoring::etable::Etableinline
solv2_core::scoring::etable::Etableprivate
Wradiuscore::scoring::etable::Etableprivate
zero_hydrogen_and_water_ljatr_one_pair(Size atype1, Size atype2, ObjexxFCL::FArray1A< Real > ljrep, ObjexxFCL::FArray1A< Real > ljatr, ObjexxFCL::FArray1A< Real > dljatr, ObjexxFCL::FArray1A< Real > fasol1, ObjexxFCL::FArray1A< Real > fasol2, ObjexxFCL::FArray1A< Real > dfasol, ObjexxFCL::FArray1A< Real > dfasol1)core::scoring::etable::Etableprivate
~Etable()core::scoring::etable::Etablevirtual