core::init::pre_talaris_2013_behavior_settings Struct Reference

Public Member Functions
	pre_talaris_2013_behavior_settings ()

Public Attributes
bool	pre_talaris2013_geometries { true }
bool	hb_sp2_chipen { false }
bool	hb_fade_energy { false }
bool	hbond_measure_sp3acc_BAH_from_hvy { false }
Real	lj_hbond_hdis = 1.95
Real	lj_hbond_OH_donor_dis = 3.0
Real	hb_sp2_outer_width = 0.33333
Real	expand_st_chi2sampling { false }
std::string	score_weights
std::string	score_patch
bool	analytic_etable_evaluation { false }
std::string	hbond_params
bool	smooth_fa_elec { false }
Real	elec_min_dis = 1.5
bool	dun10 { false }
bool	use_bicubic_interpolation { false }

Constructor & Destructor Documentation

pre_talaris_2013_behavior_settings()

core::init::pre_talaris_2013_behavior_settings::pre_talaris_2013_behavior_settings

(

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Member Data Documentation

analytic_etable_evaluation

bool core::init::pre_talaris_2013_behavior_settings::analytic_etable_evaluation { false }

Referenced by core::init::revert_to_pre_talaris_2013_defaults().

dun10

bool core::init::pre_talaris_2013_behavior_settings::dun10 { false }

Referenced by core::init::revert_to_pre_talaris_2013_defaults().

elec_min_dis

Real core::init::pre_talaris_2013_behavior_settings::elec_min_dis = 1.5

Referenced by core::init::revert_to_pre_talaris_2013_defaults().

expand_st_chi2sampling

Real core::init::pre_talaris_2013_behavior_settings::expand_st_chi2sampling { false }

Referenced by core::init::revert_to_pre_talaris_2013_defaults().

hb_fade_energy

bool core::init::pre_talaris_2013_behavior_settings::hb_fade_energy { false }

Referenced by core::init::revert_to_pre_talaris_2013_defaults().

hb_sp2_chipen

bool core::init::pre_talaris_2013_behavior_settings::hb_sp2_chipen { false }

Referenced by core::init::revert_to_pre_talaris_2013_defaults().

hb_sp2_outer_width

Real core::init::pre_talaris_2013_behavior_settings::hb_sp2_outer_width = 0.33333

Referenced by core::init::revert_to_pre_talaris_2013_defaults().

hbond_measure_sp3acc_BAH_from_hvy

bool core::init::pre_talaris_2013_behavior_settings::hbond_measure_sp3acc_BAH_from_hvy { false }

Referenced by core::init::revert_to_pre_talaris_2013_defaults().

hbond_params

std::string core::init::pre_talaris_2013_behavior_settings::hbond_params

Referenced by core::init::revert_to_pre_talaris_2013_defaults().

lj_hbond_hdis

Real core::init::pre_talaris_2013_behavior_settings::lj_hbond_hdis = 1.95

Referenced by core::init::revert_to_pre_talaris_2013_defaults().

lj_hbond_OH_donor_dis

Real core::init::pre_talaris_2013_behavior_settings::lj_hbond_OH_donor_dis = 3.0

Referenced by core::init::revert_to_pre_talaris_2013_defaults().

pre_talaris2013_geometries

bool core::init::pre_talaris_2013_behavior_settings::pre_talaris2013_geometries { true }

Referenced by core::init::revert_to_pre_talaris_2013_defaults().

score_patch

std::string core::init::pre_talaris_2013_behavior_settings::score_patch

Referenced by core::init::revert_to_pre_talaris_2013_defaults().

score_weights

std::string core::init::pre_talaris_2013_behavior_settings::score_weights

Referenced by core::init::revert_to_pre_talaris_2013_defaults().

smooth_fa_elec

bool core::init::pre_talaris_2013_behavior_settings::smooth_fa_elec { false }

Referenced by core::init::revert_to_pre_talaris_2013_defaults().

use_bicubic_interpolation

bool core::init::pre_talaris_2013_behavior_settings::use_bicubic_interpolation { false }

Referenced by core::init::revert_to_pre_talaris_2013_defaults().

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

• src/core/init/score_function_corrections.cc