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Rosetta
2021.16
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Rosetta
2021.16
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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) |
| ScoreEachBenchmark Score_cbeta_("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) |
| ScoreEachBenchmark Score_cen_env_smooth_("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) |
| ScoreEachBenchmark Score_cenpack_("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) |
| ScoreEachBenchmark Score_ch_bond_("core.scoring.Score_100x_ch_bond", ch_bond, 100) |
| ScoreEachBenchmark Score_chainbreak_("core.scoring.Score_100x_chainbreak", chainbreak, 100) |
| ScoreEachBenchmark Score_co_("core.scoring.Score_100x_co", co, 100) |
| ScoreEachBenchmark Score_distance_chainbreak_("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") |
| ScoreEachBenchmark Score_dslf_cbs_ds_("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") |
| ScoreEachBenchmark Score_dslf_fa13_("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") |
| ScoreEachBenchmark Score_dslf_ss_dst_("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) |
| ScoreEachBenchmark Score_env_("core.scoring.Score_5000x_env", env, 5000,"test_in_cen.pdb", true) |
| ScoreEachBenchmark Score_envsmooth_("core.scoring.Score_100x_envsmooth", envsmooth, 100) |
| ScoreEachBenchmark Score_fa_atr_("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) |
| 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_fa_elec_("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) |
| 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_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_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_gauss_("core.scoring.Score_10x_gauss", gauss, 10) |
| ScoreEachBenchmark Score_gb_elec_("core.scoring.Score_1x_gb_elec", gb_elec, 1) |
| ScoreEachBenchmark Score_h2o_hbond_("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) |
| ScoreEachBenchmark Score_hbond_lr_bb_("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) |
| ScoreEachBenchmark Score_hbond_sc_("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) |
| ScoreEachBenchmark Score_hbond_sr_bb_sc_("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) |
| ScoreEachBenchmark Score_linear_chainbreak_("core.scoring.Score_100x_linear_chainbreak", linear_chainbreak, 100) |
| ScoreEachBenchmark Score_lk_costheta_("core.scoring.Score_10x_lk_costheta", lk_costheta, 10) |
| ScoreEachBenchmark Score_lk_nonpolar_("core.scoring.Score_10x_lk_nonpolar", lk_nonpolar, 10) |
| ScoreEachBenchmark Score_lk_polar_("core.scoring.Score_10x_lk_polar", lk_polar, 10) |
| ScoreEachBenchmark Score_mm_bend_("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) |
| ScoreEachBenchmark Score_mm_lj_intra_rep_("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) |
| ScoreEachBenchmark Score_mm_twist_("core.scoring.Score_200x_mm_twist", mm_twist, 200) |
| ScoreEachBenchmark Score_neigh_vect_("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) |
| 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_omega_("core.scoring.Score_10000x_omega", omega, 10000) |
| ScoreEachBenchmark Score_overlap_chainbreak_("core.scoring.Score_100x_overlap_chainbreak", overlap_chainbreak, 100) |
| ScoreEachBenchmark Score_p_aa_("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) |
| ScoreEachBenchmark Score_pack_stat_("core.scoring.Score_1x_pack_stat", pack_stat, 1) |
| ScoreEachBenchmark Score_pair_("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) |
| ScoreEachBenchmark Score_rama2b_("core.scoring.Score_10000x_rama2b", rama2b, 10000) |
| ScoreEachBenchmark Score_rama_("core.scoring.Score_10000x_rama", rama, 10000) |
| ScoreEachBenchmark Score_ref_("core.scoring.Score_100000x_ref", ref, 100000) |
| ScoreEachBenchmark Score_ref_nc_("core.scoring.Score_100x_ref_nc", ref_nc, 100) |
| ScoreEachBenchmark Score_rg_("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) |
| ScoreEachBenchmark Score_sa_("core.scoring.Score_1x_sa", sa, 1) |
| ScoreEachBenchmark Score_sheet_("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) |
| ScoreEachBenchmark Score_unfolded_("core.scoring.Score_1000x_unfolded", unfolded, 1000) |
| ScoreEachBenchmark Score_vdw_("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) |
1.8.7