core::scoring::etable::EtableParamsOnePair Struct Reference

#include <Etable.hh>

Collaboration diagram for core::scoring::etable::EtableParamsOnePair:

Public Member Functions
	EtableParamsOnePair ()

Public Attributes
Real	maxd2
bool	hydrogen_interaction
Real	ljrep_linear_ramp_d2_cutoff
Real	lj_r6_coeff
Real	lj_r12_coeff
Real	lj_switch_intercept
Real	lj_switch_slope
Real	lj_minimum
Real	lj_val_at_minimum
Real	ljatr_spline_xlo
Real	ljatr_spline_xhi
SplineParameters	ljatr_spline_parameters
ExtraQuadraticRepulsion	ljrep_extra_repulsion
bool	ljrep_from_negcrossing
Real	lk_coeff1
Real	lk_coeff2
Real	lk_min_dis2sigma_value
Real	fasol_spline_close_start
Real	fasol_spline_close_end
SplineParameters	fasol_spline_close
SplineParameters	fasol_spline_far
Real	ljatr_final_weight
Real	fasol_final_weight

Detailed Description

Definition at line 110 of file Etable.hh.

Constructor & Destructor Documentation

core::scoring::etable::EtableParamsOnePair::EtableParamsOnePair ( )

inline

Definition at line 137 of file Etable.hh.

Member Data Documentation

Real core::scoring::etable::EtableParamsOnePair::fasol_final_weight

Definition at line 135 of file Etable.hh.

Referenced by core::scoring::etable::Etable::modify_pot_one_pair(), and core::scoring::etable::Etable::zero_hydrogen_and_water_ljatr_one_pair().

SplineParameters core::scoring::etable::EtableParamsOnePair::fasol_spline_close

Definition at line 132 of file Etable.hh.

Referenced by core::scoring::etable::Etable::smooth_etables_one_pair().

Real core::scoring::etable::EtableParamsOnePair::fasol_spline_close_end

Definition at line 131 of file Etable.hh.

Referenced by core::scoring::etable::Etable::smooth_etables_one_pair().

Real core::scoring::etable::EtableParamsOnePair::fasol_spline_close_start

Definition at line 130 of file Etable.hh.

Referenced by core::scoring::etable::Etable::smooth_etables_one_pair().

SplineParameters core::scoring::etable::EtableParamsOnePair::fasol_spline_far

Definition at line 133 of file Etable.hh.

Referenced by core::scoring::etable::Etable::smooth_etables_one_pair().

bool core::scoring::etable::EtableParamsOnePair::hydrogen_interaction

Definition at line 113 of file Etable.hh.

Referenced by core::scoring::etable::Etable::zero_hydrogen_and_water_ljatr_one_pair().

Real core::scoring::etable::EtableParamsOnePair::lj_minimum

Definition at line 119 of file Etable.hh.

Referenced by core::scoring::etable::Etable::modify_pot_one_pair(), and core::scoring::etable::Etable::smooth_etables_one_pair().

Real core::scoring::etable::EtableParamsOnePair::lj_r12_coeff

Definition at line 116 of file Etable.hh.

Referenced by core::scoring::etable::Etable::analytic_lj_generic_form(), and core::scoring::etable::Etable::make_pairenergy_table().

Real core::scoring::etable::EtableParamsOnePair::lj_r6_coeff

Definition at line 115 of file Etable.hh.

Referenced by core::scoring::etable::Etable::analytic_lj_generic_form(), and core::scoring::etable::Etable::make_pairenergy_table().

Real core::scoring::etable::EtableParamsOnePair::lj_switch_intercept

Definition at line 117 of file Etable.hh.

Referenced by core::scoring::etable::Etable::analytic_ljrep_linearized(), and core::scoring::etable::Etable::make_pairenergy_table().

Real core::scoring::etable::EtableParamsOnePair::lj_switch_slope

Definition at line 118 of file Etable.hh.

Referenced by core::scoring::etable::Etable::analytic_ljrep_linearized(), and core::scoring::etable::Etable::make_pairenergy_table().

Real core::scoring::etable::EtableParamsOnePair::lj_val_at_minimum

Definition at line 120 of file Etable.hh.

Referenced by core::scoring::etable::Etable::smooth_etables_one_pair().

Real core::scoring::etable::EtableParamsOnePair::ljatr_final_weight

Definition at line 134 of file Etable.hh.

Referenced by core::scoring::etable::Etable::modify_pot_one_pair(), and core::scoring::etable::Etable::zero_hydrogen_and_water_ljatr_one_pair().

SplineParameters core::scoring::etable::EtableParamsOnePair::ljatr_spline_parameters

Definition at line 123 of file Etable.hh.

Referenced by core::scoring::etable::Etable::analytic_ljatr_spline_ramp_to_zero(), core::scoring::etable::Etable::analytic_ljatr_spline_ramp_to_zero_deriv(), and core::scoring::etable::Etable::smooth_etables_one_pair().

Real core::scoring::etable::EtableParamsOnePair::ljatr_spline_xhi

Definition at line 122 of file Etable.hh.

Referenced by core::scoring::etable::Etable::analytic_lj_generic_form(), core::scoring::etable::Etable::analytic_ljatr_spline_ramp_to_zero(), core::scoring::etable::Etable::analytic_ljatr_spline_ramp_to_zero_deriv(), and core::scoring::etable::Etable::smooth_etables_one_pair().

Real core::scoring::etable::EtableParamsOnePair::ljatr_spline_xlo

Definition at line 121 of file Etable.hh.

Referenced by core::scoring::etable::Etable::analytic_ljatr_spline_ramp_to_zero(), core::scoring::etable::Etable::analytic_ljatr_spline_ramp_to_zero_deriv(), and core::scoring::etable::Etable::smooth_etables_one_pair().

ExtraQuadraticRepulsion core::scoring::etable::EtableParamsOnePair::ljrep_extra_repulsion

Definition at line 124 of file Etable.hh.

Referenced by core::scoring::etable::Etable::modify_pot_one_pair().

bool core::scoring::etable::EtableParamsOnePair::ljrep_from_negcrossing

Definition at line 125 of file Etable.hh.

Referenced by core::scoring::etable::Etable::modify_pot_one_pair().

Real core::scoring::etable::EtableParamsOnePair::ljrep_linear_ramp_d2_cutoff

Definition at line 114 of file Etable.hh.

Referenced by core::scoring::etable::Etable::analytic_lj_generic_form(), core::scoring::etable::Etable::analytic_ljrep_linearized(), and core::scoring::etable::Etable::make_pairenergy_table().

Real core::scoring::etable::EtableParamsOnePair::lk_coeff1

Definition at line 127 of file Etable.hh.

Referenced by core::scoring::etable::Etable::make_pairenergy_table().

Real core::scoring::etable::EtableParamsOnePair::lk_coeff2

Definition at line 128 of file Etable.hh.

Referenced by core::scoring::etable::Etable::make_pairenergy_table().

Real core::scoring::etable::EtableParamsOnePair::lk_min_dis2sigma_value

Definition at line 129 of file Etable.hh.

Referenced by core::scoring::etable::Etable::make_pairenergy_table().

Real core::scoring::etable::EtableParamsOnePair::maxd2

Definition at line 112 of file Etable.hh.

Referenced by core::scoring::etable::Etable::make_pairenergy_table(), core::scoring::etable::Etable::modify_pot_one_pair(), and core::scoring::etable::Etable::zero_hydrogen_and_water_ljatr_one_pair().

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The documentation for this struct was generated from the following file:

• src/core/scoring/etable/Etable.hh