Rosetta
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#include <apps/benchmark/performance/performance_benchmark.hh>
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/import_pose/import_pose.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoringManager.hh>
#include <core/scoring/ScoreTypeManager.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/methods/OneBodyEnergy.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/methods/ShortRangeTwoBodyEnergy.hh>
#include <core/scoring/methods/LongRangeTwoBodyEnergy.hh>
#include <core/scoring/LREnergyContainer.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueTypeSet.fwd.hh>
#include <utility/vector1.hh>
#include <utility/excn/Exceptions.hh>
#include <basic/Tracer.hh>
Classes | |
class | ScoreEachBenchmark |
Variables | |
ScoreEachBenchmark | Score_ref_ ("core.scoring.Score_100000x_ref", ref, 100000) |
ScoreEachBenchmark | Score_yhh_planarity_ ("core.scoring.Score_10000x_yhh_planarity", yhh_planarity, 10000) |
ScoreEachBenchmark | Score_cbeta_ ("core.scoring.Score_10000x_cbeta", cbeta, 10000,"test_in_cen.pdb", true) |
ScoreEachBenchmark | Score_env_ ("core.scoring.Score_5000x_env", env, 5000,"test_in_cen.pdb", true) |
ScoreEachBenchmark | Score_fa_pair_ ("core.scoring.Score_100x_fa_pair", fa_pair, 100) |
ScoreEachBenchmark | Score_fa_pair_aro_aro_ ("core.scoring.Score_100x_fa_pair_aro_aro", fa_pair_aro_aro, 100) |
ScoreEachBenchmark | Score_fa_pair_aro_pol_ ("core.scoring.Score_100x_fa_pair_aro_pol", fa_pair_aro_pol, 100) |
ScoreEachBenchmark | Score_fa_pair_pol_pol_ ("core.scoring.Score_100x_fa_pair_pol_pol", fa_pair_pol_pol, 100) |
ScoreEachBenchmark | Score_omega_ ("core.scoring.Score_10000x_omega", omega, 10000) |
ScoreEachBenchmark | Score_rama_ ("core.scoring.Score_10000x_rama", rama, 10000) |
ScoreEachBenchmark | Score_rama2b_ ("core.scoring.Score_10000x_rama2b", rama2b, 10000) |
ScoreEachBenchmark | Score_p_aa_pp_ ("core.scoring.Score_1000x_p_aa_pp", p_aa_pp, 1000) |
ScoreEachBenchmark | Score_p_aa_ ("core.scoring.Score_40000x_p_aa", p_aa, 40000) |
ScoreEachBenchmark | Score_mm_lj_intra_rep_ ("core.scoring.Score_1000x_mm_lj_intra_rep", mm_lj_intra_rep, 1000) |
ScoreEachBenchmark | Score_mm_lj_intra_atr_ ("core.scoring.Score_1000x_mm_lj_intra_atr", mm_lj_intra_atr, 1000) |
ScoreEachBenchmark | Score_unfolded_ ("core.scoring.Score_1000x_unfolded", unfolded, 1000) |
ScoreEachBenchmark | Score_e_pH_ ("core.scoring.Score_1000x_e_pH", e_pH, 1000) |
ScoreEachBenchmark | Score_dslf_ss_dst_ ("core.scoring.Score_1000x_dslf_ss_dst", dslf_ss_dst, 1000,"1bbi_disulf.pdb") |
ScoreEachBenchmark | Score_dslf_cs_ang_ ("core.scoring.Score_1000x_dslf_cs_ang", dslf_cs_ang, 1000,"1bbi_disulf.pdb") |
ScoreEachBenchmark | Score_dslf_ss_dih_ ("core.scoring.Score_1000x_dslf_ss_dih", dslf_ss_dih, 1000,"1bbi_disulf.pdb") |
ScoreEachBenchmark | Score_dslf_ca_dih_ ("core.scoring.Score_1000x_dslf_ca_dih", dslf_ca_dih, 1000,"1bbi_disulf.pdb") |
ScoreEachBenchmark | Score_dslf_cbs_ds_ ("core.scoring.Score_1000x_dslf_cbs_ds", dslf_cbs_ds, 1000,"1bbi_disulf.pdb") |
ScoreEachBenchmark | Score_dslf_fa13_ ("core.scoring.Score_10000x_dslf_fa13", dslf_fa13, 10000,"1bbi_disulf.pdb") |
ScoreEachBenchmark | Score_cen_env_smooth_ ("core.scoring.Score_10000x_cen_env_smooth", cen_env_smooth, 10000,"test_in_cen.pdb", true) |
ScoreEachBenchmark | Score_cbeta_smooth_ ("core.scoring.Score_10000x_cbeta_smooth", cbeta_smooth, 10000,"test_in_cen.pdb", true) |
ScoreEachBenchmark | Score_pro_close_ ("core.scoring.Score_1000x_pro_close", pro_close, 1000) |
ScoreEachBenchmark | Score_fa_dun_ ("core.scoring.Score_100x_fa_dun", fa_dun, 100) |
ScoreEachBenchmark | Score_fa_dun_dev_ ("core.scoring.Score_100x_fa_dun_dev", fa_dun_dev, 100) |
ScoreEachBenchmark | Score_fa_dun_rot_ ("core.scoring.Score_100x_fa_dun_rot", fa_dun_rot, 100) |
ScoreEachBenchmark | Score_fa_dun_semi_ ("core.scoring.Score_100x_fa_dun_semi", fa_dun_semi, 100) |
ScoreEachBenchmark | Score_ref_nc_ ("core.scoring.Score_100x_ref_nc", ref_nc, 100) |
ScoreEachBenchmark | Score_co_ ("core.scoring.Score_100x_co", co, 100) |
ScoreEachBenchmark | Score_chainbreak_ ("core.scoring.Score_100x_chainbreak", chainbreak, 100) |
ScoreEachBenchmark | Score_linear_chainbreak_ ("core.scoring.Score_100x_linear_chainbreak", linear_chainbreak, 100) |
ScoreEachBenchmark | Score_overlap_chainbreak_ ("core.scoring.Score_100x_overlap_chainbreak", overlap_chainbreak, 100) |
ScoreEachBenchmark | Score_distance_chainbreak_ ("core.scoring.Score_100x_distance_chainbreak", distance_chainbreak, 100) |
ScoreEachBenchmark | Score_cart_bonded_ ("core.scoring.Score_100x_cart_bonded", cart_bonded, 100) |
ScoreEachBenchmark | Score_mm_stretch_ ("core.scoring.Score_1000x_mm_stretch", mm_stretch, 1000) |
ScoreEachBenchmark | Score_ch_bond_ ("core.scoring.Score_100x_ch_bond", ch_bond, 100) |
ScoreEachBenchmark | Score_neigh_vect_ ("core.scoring.Score_100x_neigh_vect", neigh_vect, 100) |
ScoreEachBenchmark | Score_hbond_sr_bb_ ("core.scoring.Score_100x_hbond_sr_bb", hbond_sr_bb, 100) |
ScoreEachBenchmark | Score_hbond_lr_bb_ ("core.scoring.Score_100x_hbond_lr_bb", hbond_lr_bb, 100) |
ScoreEachBenchmark | Score_hbond_bb_sc_ ("core.scoring.Score_100x_hbond_bb_sc", hbond_bb_sc, 100) |
ScoreEachBenchmark | Score_hbond_sr_bb_sc_ ("core.scoring.Score_100x_hbond_sr_bb_sc", hbond_sr_bb_sc, 100) |
ScoreEachBenchmark | Score_hbond_lr_bb_sc_ ("core.scoring.Score_100x_hbond_lr_bb_sc", hbond_lr_bb_sc, 100) |
ScoreEachBenchmark | Score_hbond_sc_ ("core.scoring.Score_100x_hbond_sc", hbond_sc, 100) |
ScoreEachBenchmark | Score_envsmooth_ ("core.scoring.Score_100x_envsmooth", envsmooth, 100) |
ScoreEachBenchmark | Score_fa_cust_pair_dist_ ("core.scoring.Score_100x_fa_cust_pair_dist", fa_cust_pair_dist, 100) |
ScoreEachBenchmark | Score_rg_ ("core.scoring.Score_100x_rg", rg, 100,"test_in_cen.pdb", true) |
ScoreEachBenchmark | Score_hs_pair_ ("core.scoring.Score_100x_hs_pair", hs_pair, 100,"test_in_cen.pdb", true) |
ScoreEachBenchmark | Score_ss_pair_ ("core.scoring.Score_100x_ss_pair", ss_pair, 100,"test_in_cen.pdb", true) |
ScoreEachBenchmark | Score_rsigma_ ("core.scoring.Score_100x_rsigma", rsigma, 100,"test_in_cen.pdb", true) |
ScoreEachBenchmark | Score_sheet_ ("core.scoring.Score_100x_sheet", sheet, 100,"test_in_cen.pdb", true) |
ScoreEachBenchmark | Score_vdw_ ("core.scoring.Score_100x_vdw", vdw, 100,"test_in_cen.pdb", true) |
ScoreEachBenchmark | Score_cen_pair_smooth_ ("core.scoring.Score_100x_cen_pair_smooth", cen_pair_smooth, 100,"test_in_cen.pdb", true) |
ScoreEachBenchmark | Score_cenpack_smooth_ ("core.scoring.Score_100x_cenpack_smooth", cenpack_smooth, 100,"test_in_cen.pdb", true) |
ScoreEachBenchmark | Score_cenpack_ ("core.scoring.Score_100x_cenpack", cenpack, 100,"test_in_cen.pdb", true) |
ScoreEachBenchmark | Score_pair_ ("core.scoring.Score_100x_pair", pair, 100,"test_in_cen.pdb", true) |
ScoreEachBenchmark | Score_fa_atr_ ("core.scoring.Score_10x_fa_atr", fa_atr, 10) |
ScoreEachBenchmark | Score_fa_rep_ ("core.scoring.Score_10x_fa_rep", fa_rep, 10) |
ScoreEachBenchmark | Score_fa_sol_ ("core.scoring.Score_10x_fa_sol", fa_sol, 10) |
ScoreEachBenchmark | Score_fa_intra_atr_ ("core.scoring.Score_1000x_fa_intra_atr", fa_intra_atr, 1000) |
ScoreEachBenchmark | Score_fa_intra_rep_ ("core.scoring.Score_1000x_fa_intra_rep", fa_intra_rep, 1000) |
ScoreEachBenchmark | Score_fa_intra_sol_ ("core.scoring.Score_1000x_fa_intra_sol", fa_intra_sol, 1000) |
ScoreEachBenchmark | Score_mm_bend_ ("core.scoring.Score_200x_mm_bend", mm_bend, 200) |
ScoreEachBenchmark | Score_mm_twist_ ("core.scoring.Score_200x_mm_twist", mm_twist, 200) |
ScoreEachBenchmark | Score_lk_costheta_ ("core.scoring.Score_10x_lk_costheta", lk_costheta, 10) |
ScoreEachBenchmark | Score_lk_polar_ ("core.scoring.Score_10x_lk_polar", lk_polar, 10) |
ScoreEachBenchmark | Score_lk_nonpolar_ ("core.scoring.Score_10x_lk_nonpolar", lk_nonpolar, 10) |
ScoreEachBenchmark | Score_h2o_hbond_ ("core.scoring.Score_100x_h2o_hbond", h2o_hbond, 100) |
ScoreEachBenchmark | Score_gauss_ ("core.scoring.Score_10x_gauss", gauss, 10) |
ScoreEachBenchmark | Score_occ_sol_fitted_ ("core.scoring.Score_10x_occ_sol_fitted", occ_sol_fitted, 10) |
ScoreEachBenchmark | Score_occ_sol_fitted_onebody_ ("core.scoring.Score_5x_occ_sol_fitted_onebody", occ_sol_fitted_onebody, 5) |
ScoreEachBenchmark | Score_fa_elec_ ("core.scoring.Score_10x_fa_elec", fa_elec, 10) |
ScoreEachBenchmark | Score_sa_ ("core.scoring.Score_1x_sa", sa, 1) |
ScoreEachBenchmark | Score_gb_elec_ ("core.scoring.Score_1x_gb_elec", gb_elec, 1) |
ScoreEachBenchmark | Score_pack_stat_ ("core.scoring.Score_1x_pack_stat", pack_stat, 1) |
ScoreEachBenchmark | Score_occ_sol_exact_ ("core.scoring.Score_1x_occ_sol_exact", occ_sol_exact, 1) |
ScoreEachBenchmark Score_cart_bonded_("core.scoring.Score_100x_cart_bonded", cart_bonded, 100) | ( | "core.scoring.Score_100x_cart_bonded" | , |
cart_bonded | , | ||
100 | |||
) |
ScoreEachBenchmark Score_cbeta_("core.scoring.Score_10000x_cbeta", cbeta, 10000,"test_in_cen.pdb", true) | ( | "core.scoring.Score_10000x_cbeta" | , |
cbeta | , | ||
10000 | , | ||
"test_in_cen.pdb" | , | ||
true | |||
) |
ScoreEachBenchmark Score_cbeta_smooth_("core.scoring.Score_10000x_cbeta_smooth", cbeta_smooth, 10000,"test_in_cen.pdb", true) | ( | "core.scoring.Score_10000x_cbeta_smooth" | , |
cbeta_smooth | , | ||
10000 | , | ||
"test_in_cen.pdb" | , | ||
true | |||
) |
ScoreEachBenchmark Score_cen_env_smooth_("core.scoring.Score_10000x_cen_env_smooth", cen_env_smooth, 10000,"test_in_cen.pdb", true) | ( | "core.scoring.Score_10000x_cen_env_smooth" | , |
cen_env_smooth | , | ||
10000 | , | ||
"test_in_cen.pdb" | , | ||
true | |||
) |
ScoreEachBenchmark Score_cen_pair_smooth_("core.scoring.Score_100x_cen_pair_smooth", cen_pair_smooth, 100,"test_in_cen.pdb", true) | ( | "core.scoring.Score_100x_cen_pair_smooth" | , |
cen_pair_smooth | , | ||
100 | , | ||
"test_in_cen.pdb" | , | ||
true | |||
) |
ScoreEachBenchmark Score_cenpack_("core.scoring.Score_100x_cenpack", cenpack, 100,"test_in_cen.pdb", true) | ( | "core.scoring.Score_100x_cenpack" | , |
cenpack | , | ||
100 | , | ||
"test_in_cen.pdb" | , | ||
true | |||
) |
ScoreEachBenchmark Score_cenpack_smooth_("core.scoring.Score_100x_cenpack_smooth", cenpack_smooth, 100,"test_in_cen.pdb", true) | ( | "core.scoring.Score_100x_cenpack_smooth" | , |
cenpack_smooth | , | ||
100 | , | ||
"test_in_cen.pdb" | , | ||
true | |||
) |
ScoreEachBenchmark Score_ch_bond_("core.scoring.Score_100x_ch_bond", ch_bond, 100) | ( | "core.scoring.Score_100x_ch_bond" | , |
ch_bond | , | ||
100 | |||
) |
ScoreEachBenchmark Score_chainbreak_("core.scoring.Score_100x_chainbreak", chainbreak, 100) | ( | "core.scoring.Score_100x_chainbreak" | , |
chainbreak | , | ||
100 | |||
) |
ScoreEachBenchmark Score_co_("core.scoring.Score_100x_co", co, 100) | ( | "core.scoring.Score_100x_co" | , |
co | , | ||
100 | |||
) |
ScoreEachBenchmark Score_distance_chainbreak_("core.scoring.Score_100x_distance_chainbreak", distance_chainbreak, 100) | ( | "core.scoring.Score_100x_distance_chainbreak" | , |
distance_chainbreak | , | ||
100 | |||
) |
ScoreEachBenchmark Score_dslf_ca_dih_("core.scoring.Score_1000x_dslf_ca_dih", dslf_ca_dih, 1000,"1bbi_disulf.pdb") | ( | "core.scoring.Score_1000x_dslf_ca_dih" | , |
dslf_ca_dih | , | ||
1000 | , | ||
"1bbi_disulf.pdb" | |||
) |
ScoreEachBenchmark Score_dslf_cbs_ds_("core.scoring.Score_1000x_dslf_cbs_ds", dslf_cbs_ds, 1000,"1bbi_disulf.pdb") | ( | "core.scoring.Score_1000x_dslf_cbs_ds" | , |
dslf_cbs_ds | , | ||
1000 | , | ||
"1bbi_disulf.pdb" | |||
) |
ScoreEachBenchmark Score_dslf_cs_ang_("core.scoring.Score_1000x_dslf_cs_ang", dslf_cs_ang, 1000,"1bbi_disulf.pdb") | ( | "core.scoring.Score_1000x_dslf_cs_ang" | , |
dslf_cs_ang | , | ||
1000 | , | ||
"1bbi_disulf.pdb" | |||
) |
ScoreEachBenchmark Score_dslf_fa13_("core.scoring.Score_10000x_dslf_fa13", dslf_fa13, 10000,"1bbi_disulf.pdb") | ( | "core.scoring.Score_10000x_dslf_fa13" | , |
dslf_fa13 | , | ||
10000 | , | ||
"1bbi_disulf.pdb" | |||
) |
ScoreEachBenchmark Score_dslf_ss_dih_("core.scoring.Score_1000x_dslf_ss_dih", dslf_ss_dih, 1000,"1bbi_disulf.pdb") | ( | "core.scoring.Score_1000x_dslf_ss_dih" | , |
dslf_ss_dih | , | ||
1000 | , | ||
"1bbi_disulf.pdb" | |||
) |
ScoreEachBenchmark Score_dslf_ss_dst_("core.scoring.Score_1000x_dslf_ss_dst", dslf_ss_dst, 1000,"1bbi_disulf.pdb") | ( | "core.scoring.Score_1000x_dslf_ss_dst" | , |
dslf_ss_dst | , | ||
1000 | , | ||
"1bbi_disulf.pdb" | |||
) |
ScoreEachBenchmark Score_e_pH_("core.scoring.Score_1000x_e_pH", e_pH, 1000) | ( | "core.scoring.Score_1000x_e_pH" | , |
e_pH | , | ||
1000 | |||
) |
ScoreEachBenchmark Score_env_("core.scoring.Score_5000x_env", env, 5000,"test_in_cen.pdb", true) | ( | "core.scoring.Score_5000x_env" | , |
env | , | ||
5000 | , | ||
"test_in_cen.pdb" | , | ||
true | |||
) |
ScoreEachBenchmark Score_envsmooth_("core.scoring.Score_100x_envsmooth", envsmooth, 100) | ( | "core.scoring.Score_100x_envsmooth" | , |
envsmooth | , | ||
100 | |||
) |
ScoreEachBenchmark Score_fa_atr_("core.scoring.Score_10x_fa_atr", fa_atr, 10) | ( | "core.scoring.Score_10x_fa_atr" | , |
fa_atr | , | ||
10 | |||
) |
ScoreEachBenchmark Score_fa_cust_pair_dist_("core.scoring.Score_100x_fa_cust_pair_dist", fa_cust_pair_dist, 100) | ( | "core.scoring.Score_100x_fa_cust_pair_dist" | , |
fa_cust_pair_dist | , | ||
100 | |||
) |
ScoreEachBenchmark Score_fa_dun_("core.scoring.Score_100x_fa_dun", fa_dun, 100) | ( | "core.scoring.Score_100x_fa_dun" | , |
fa_dun | , | ||
100 | |||
) |
ScoreEachBenchmark Score_fa_dun_dev_("core.scoring.Score_100x_fa_dun_dev", fa_dun_dev, 100) | ( | "core.scoring.Score_100x_fa_dun_dev" | , |
fa_dun_dev | , | ||
100 | |||
) |
ScoreEachBenchmark Score_fa_dun_rot_("core.scoring.Score_100x_fa_dun_rot", fa_dun_rot, 100) | ( | "core.scoring.Score_100x_fa_dun_rot" | , |
fa_dun_rot | , | ||
100 | |||
) |
ScoreEachBenchmark Score_fa_dun_semi_("core.scoring.Score_100x_fa_dun_semi", fa_dun_semi, 100) | ( | "core.scoring.Score_100x_fa_dun_semi" | , |
fa_dun_semi | , | ||
100 | |||
) |
ScoreEachBenchmark Score_fa_elec_("core.scoring.Score_10x_fa_elec", fa_elec, 10) | ( | "core.scoring.Score_10x_fa_elec" | , |
fa_elec | , | ||
10 | |||
) |
ScoreEachBenchmark Score_fa_intra_atr_("core.scoring.Score_1000x_fa_intra_atr", fa_intra_atr, 1000) | ( | "core.scoring.Score_1000x_fa_intra_atr" | , |
fa_intra_atr | , | ||
1000 | |||
) |
ScoreEachBenchmark Score_fa_intra_rep_("core.scoring.Score_1000x_fa_intra_rep", fa_intra_rep, 1000) | ( | "core.scoring.Score_1000x_fa_intra_rep" | , |
fa_intra_rep | , | ||
1000 | |||
) |
ScoreEachBenchmark Score_fa_intra_sol_("core.scoring.Score_1000x_fa_intra_sol", fa_intra_sol, 1000) | ( | "core.scoring.Score_1000x_fa_intra_sol" | , |
fa_intra_sol | , | ||
1000 | |||
) |
ScoreEachBenchmark Score_fa_pair_("core.scoring.Score_100x_fa_pair", fa_pair, 100) | ( | "core.scoring.Score_100x_fa_pair" | , |
fa_pair | , | ||
100 | |||
) |
ScoreEachBenchmark Score_fa_pair_aro_aro_("core.scoring.Score_100x_fa_pair_aro_aro", fa_pair_aro_aro, 100) | ( | "core.scoring.Score_100x_fa_pair_aro_aro" | , |
fa_pair_aro_aro | , | ||
100 | |||
) |
ScoreEachBenchmark Score_fa_pair_aro_pol_("core.scoring.Score_100x_fa_pair_aro_pol", fa_pair_aro_pol, 100) | ( | "core.scoring.Score_100x_fa_pair_aro_pol" | , |
fa_pair_aro_pol | , | ||
100 | |||
) |
ScoreEachBenchmark Score_fa_pair_pol_pol_("core.scoring.Score_100x_fa_pair_pol_pol", fa_pair_pol_pol, 100) | ( | "core.scoring.Score_100x_fa_pair_pol_pol" | , |
fa_pair_pol_pol | , | ||
100 | |||
) |
ScoreEachBenchmark Score_fa_rep_("core.scoring.Score_10x_fa_rep", fa_rep, 10) | ( | "core.scoring.Score_10x_fa_rep" | , |
fa_rep | , | ||
10 | |||
) |
ScoreEachBenchmark Score_fa_sol_("core.scoring.Score_10x_fa_sol", fa_sol, 10) | ( | "core.scoring.Score_10x_fa_sol" | , |
fa_sol | , | ||
10 | |||
) |
ScoreEachBenchmark Score_gauss_("core.scoring.Score_10x_gauss", gauss, 10) | ( | "core.scoring.Score_10x_gauss" | , |
gauss | , | ||
10 | |||
) |
ScoreEachBenchmark Score_gb_elec_("core.scoring.Score_1x_gb_elec", gb_elec, 1) | ( | "core.scoring.Score_1x_gb_elec" | , |
gb_elec | , | ||
1 | |||
) |
ScoreEachBenchmark Score_h2o_hbond_("core.scoring.Score_100x_h2o_hbond", h2o_hbond, 100) | ( | "core.scoring.Score_100x_h2o_hbond" | , |
h2o_hbond | , | ||
100 | |||
) |
ScoreEachBenchmark Score_hbond_bb_sc_("core.scoring.Score_100x_hbond_bb_sc", hbond_bb_sc, 100) | ( | "core.scoring.Score_100x_hbond_bb_sc" | , |
hbond_bb_sc | , | ||
100 | |||
) |
ScoreEachBenchmark Score_hbond_lr_bb_("core.scoring.Score_100x_hbond_lr_bb", hbond_lr_bb, 100) | ( | "core.scoring.Score_100x_hbond_lr_bb" | , |
hbond_lr_bb | , | ||
100 | |||
) |
ScoreEachBenchmark Score_hbond_lr_bb_sc_("core.scoring.Score_100x_hbond_lr_bb_sc", hbond_lr_bb_sc, 100) | ( | "core.scoring.Score_100x_hbond_lr_bb_sc" | , |
hbond_lr_bb_sc | , | ||
100 | |||
) |
ScoreEachBenchmark Score_hbond_sc_("core.scoring.Score_100x_hbond_sc", hbond_sc, 100) | ( | "core.scoring.Score_100x_hbond_sc" | , |
hbond_sc | , | ||
100 | |||
) |
ScoreEachBenchmark Score_hbond_sr_bb_("core.scoring.Score_100x_hbond_sr_bb", hbond_sr_bb, 100) | ( | "core.scoring.Score_100x_hbond_sr_bb" | , |
hbond_sr_bb | , | ||
100 | |||
) |
ScoreEachBenchmark Score_hbond_sr_bb_sc_("core.scoring.Score_100x_hbond_sr_bb_sc", hbond_sr_bb_sc, 100) | ( | "core.scoring.Score_100x_hbond_sr_bb_sc" | , |
hbond_sr_bb_sc | , | ||
100 | |||
) |
ScoreEachBenchmark Score_hs_pair_("core.scoring.Score_100x_hs_pair", hs_pair, 100,"test_in_cen.pdb", true) | ( | "core.scoring.Score_100x_hs_pair" | , |
hs_pair | , | ||
100 | , | ||
"test_in_cen.pdb" | , | ||
true | |||
) |
ScoreEachBenchmark Score_linear_chainbreak_("core.scoring.Score_100x_linear_chainbreak", linear_chainbreak, 100) | ( | "core.scoring.Score_100x_linear_chainbreak" | , |
linear_chainbreak | , | ||
100 | |||
) |
ScoreEachBenchmark Score_lk_costheta_("core.scoring.Score_10x_lk_costheta", lk_costheta, 10) | ( | "core.scoring.Score_10x_lk_costheta" | , |
lk_costheta | , | ||
10 | |||
) |
ScoreEachBenchmark Score_lk_nonpolar_("core.scoring.Score_10x_lk_nonpolar", lk_nonpolar, 10) | ( | "core.scoring.Score_10x_lk_nonpolar" | , |
lk_nonpolar | , | ||
10 | |||
) |
ScoreEachBenchmark Score_lk_polar_("core.scoring.Score_10x_lk_polar", lk_polar, 10) | ( | "core.scoring.Score_10x_lk_polar" | , |
lk_polar | , | ||
10 | |||
) |
ScoreEachBenchmark Score_mm_bend_("core.scoring.Score_200x_mm_bend", mm_bend, 200) | ( | "core.scoring.Score_200x_mm_bend" | , |
mm_bend | , | ||
200 | |||
) |
ScoreEachBenchmark Score_mm_lj_intra_atr_("core.scoring.Score_1000x_mm_lj_intra_atr", mm_lj_intra_atr, 1000) | ( | "core.scoring.Score_1000x_mm_lj_intra_atr" | , |
mm_lj_intra_atr | , | ||
1000 | |||
) |
ScoreEachBenchmark Score_mm_lj_intra_rep_("core.scoring.Score_1000x_mm_lj_intra_rep", mm_lj_intra_rep, 1000) | ( | "core.scoring.Score_1000x_mm_lj_intra_rep" | , |
mm_lj_intra_rep | , | ||
1000 | |||
) |
ScoreEachBenchmark Score_mm_stretch_("core.scoring.Score_1000x_mm_stretch", mm_stretch, 1000) | ( | "core.scoring.Score_1000x_mm_stretch" | , |
mm_stretch | , | ||
1000 | |||
) |
ScoreEachBenchmark Score_mm_twist_("core.scoring.Score_200x_mm_twist", mm_twist, 200) | ( | "core.scoring.Score_200x_mm_twist" | , |
mm_twist | , | ||
200 | |||
) |
ScoreEachBenchmark Score_neigh_vect_("core.scoring.Score_100x_neigh_vect", neigh_vect, 100) | ( | "core.scoring.Score_100x_neigh_vect" | , |
neigh_vect | , | ||
100 | |||
) |
ScoreEachBenchmark Score_occ_sol_exact_("core.scoring.Score_1x_occ_sol_exact", occ_sol_exact, 1) | ( | "core.scoring.Score_1x_occ_sol_exact" | , |
occ_sol_exact | , | ||
1 | |||
) |
ScoreEachBenchmark Score_occ_sol_fitted_("core.scoring.Score_10x_occ_sol_fitted", occ_sol_fitted, 10) | ( | "core.scoring.Score_10x_occ_sol_fitted" | , |
occ_sol_fitted | , | ||
10 | |||
) |
ScoreEachBenchmark Score_occ_sol_fitted_onebody_("core.scoring.Score_5x_occ_sol_fitted_onebody", occ_sol_fitted_onebody, 5) | ( | "core.scoring.Score_5x_occ_sol_fitted_onebody" | , |
occ_sol_fitted_onebody | , | ||
5 | |||
) |
ScoreEachBenchmark Score_omega_("core.scoring.Score_10000x_omega", omega, 10000) | ( | "core.scoring.Score_10000x_omega" | , |
omega | , | ||
10000 | |||
) |
ScoreEachBenchmark Score_overlap_chainbreak_("core.scoring.Score_100x_overlap_chainbreak", overlap_chainbreak, 100) | ( | "core.scoring.Score_100x_overlap_chainbreak" | , |
overlap_chainbreak | , | ||
100 | |||
) |
ScoreEachBenchmark Score_p_aa_("core.scoring.Score_40000x_p_aa", p_aa, 40000) | ( | "core.scoring.Score_40000x_p_aa" | , |
p_aa | , | ||
40000 | |||
) |
ScoreEachBenchmark Score_p_aa_pp_("core.scoring.Score_1000x_p_aa_pp", p_aa_pp, 1000) | ( | "core.scoring.Score_1000x_p_aa_pp" | , |
p_aa_pp | , | ||
1000 | |||
) |
ScoreEachBenchmark Score_pack_stat_("core.scoring.Score_1x_pack_stat", pack_stat, 1) | ( | "core.scoring.Score_1x_pack_stat" | , |
pack_stat | , | ||
1 | |||
) |
ScoreEachBenchmark Score_pair_("core.scoring.Score_100x_pair", pair, 100,"test_in_cen.pdb", true) | ( | "core.scoring.Score_100x_pair" | , |
pair | , | ||
100 | , | ||
"test_in_cen.pdb" | , | ||
true | |||
) |
ScoreEachBenchmark Score_pro_close_("core.scoring.Score_1000x_pro_close", pro_close, 1000) | ( | "core.scoring.Score_1000x_pro_close" | , |
pro_close | , | ||
1000 | |||
) |
ScoreEachBenchmark Score_rama2b_("core.scoring.Score_10000x_rama2b", rama2b, 10000) | ( | "core.scoring.Score_10000x_rama2b" | , |
rama2b | , | ||
10000 | |||
) |
ScoreEachBenchmark Score_rama_("core.scoring.Score_10000x_rama", rama, 10000) | ( | "core.scoring.Score_10000x_rama" | , |
rama | , | ||
10000 | |||
) |
ScoreEachBenchmark Score_ref_("core.scoring.Score_100000x_ref", ref, 100000) | ( | "core.scoring.Score_100000x_ref" | , |
ref | , | ||
100000 | |||
) |
ScoreEachBenchmark Score_ref_nc_("core.scoring.Score_100x_ref_nc", ref_nc, 100) | ( | "core.scoring.Score_100x_ref_nc" | , |
ref_nc | , | ||
100 | |||
) |
ScoreEachBenchmark Score_rg_("core.scoring.Score_100x_rg", rg, 100,"test_in_cen.pdb", true) | ( | "core.scoring.Score_100x_rg" | , |
rg | , | ||
100 | , | ||
"test_in_cen.pdb" | , | ||
true | |||
) |
ScoreEachBenchmark Score_rsigma_("core.scoring.Score_100x_rsigma", rsigma, 100,"test_in_cen.pdb", true) | ( | "core.scoring.Score_100x_rsigma" | , |
rsigma | , | ||
100 | , | ||
"test_in_cen.pdb" | , | ||
true | |||
) |
ScoreEachBenchmark Score_sa_("core.scoring.Score_1x_sa", sa, 1) | ( | "core.scoring.Score_1x_sa" | , |
sa | , | ||
1 | |||
) |
ScoreEachBenchmark Score_sheet_("core.scoring.Score_100x_sheet", sheet, 100,"test_in_cen.pdb", true) | ( | "core.scoring.Score_100x_sheet" | , |
sheet | , | ||
100 | , | ||
"test_in_cen.pdb" | , | ||
true | |||
) |
ScoreEachBenchmark Score_ss_pair_("core.scoring.Score_100x_ss_pair", ss_pair, 100,"test_in_cen.pdb", true) | ( | "core.scoring.Score_100x_ss_pair" | , |
ss_pair | , | ||
100 | , | ||
"test_in_cen.pdb" | , | ||
true | |||
) |
ScoreEachBenchmark Score_unfolded_("core.scoring.Score_1000x_unfolded", unfolded, 1000) | ( | "core.scoring.Score_1000x_unfolded" | , |
unfolded | , | ||
1000 | |||
) |
ScoreEachBenchmark Score_vdw_("core.scoring.Score_100x_vdw", vdw, 100,"test_in_cen.pdb", true) | ( | "core.scoring.Score_100x_vdw" | , |
vdw | , | ||
100 | , | ||
"test_in_cen.pdb" | , | ||
true | |||
) |
ScoreEachBenchmark Score_yhh_planarity_("core.scoring.Score_10000x_yhh_planarity", yhh_planarity, 10000) | ( | "core.scoring.Score_10000x_yhh_planarity" | , |
yhh_planarity | , | ||
10000 | |||
) |