from __future__ import division from libtbx import test_utils import libtbx.load_env tst_list = ( "$D/rotamer/tst_rotamer_eval.py", "$D/monomer_library/tst_idealized_aa.py", "$D/regression/tst_ml_estimate.py", "$D/density_modification/tst_density_modification.py", "$D/geometry_restraints/tst_ramachandran.py", "$D/geometry_restraints/tst_manager.py", "$D/regression/tst_map_type_parser.py", "$D/rsr/tst.py", "$D/polygon/tst.py", "$D/polygon/tst_gui.py", "$D/chemical_components/tst.py", "$D/regression/tst_add_h_to_water.py", "$D/rotamer/rotamer_eval.py", "$D/wwpdb/tst_standard_geometry_cif.py", "$D/regression/tst_pdbtools.py", "$D/real_space/tst.py", "$D/ias/tst_ias.py", "$D/refinement/tst_fit_rotamers.py", ["$D/refinement/tst_anomalous_scatterer_groups.py", "P3"], "$D/refinement/tst_rigid_body.py", "$D/refinement/tst_rigid_body_groups_from_pdb_chains.py", "$D/refinement/tst_refinement_flags.py", "$D/torsion_restraints/tst_reference_model.py", "$D/regression/tst_model.py", "$D/regression/tst_model_2.py", "$D/regression/tst_fmodel.py", "$D/regression/tst_utils.py", "$D/regression/tst_alignment.py", ["$D/regression/tst_fmodel_fd.py", "P31"], "$D/maps/tst_composite_omit_map.py", "$D/maps/tst_composite_omit_map_2.py", "$D/maps/tst_composite_omit_map_3.py", "$D/ncs/tst_ncs_utils.py", "$D/ncs/tst_ncs_search.py", "$D/ncs/tst_restraints.py", "$D/ncs/tst_restraints_2.py", "$D/ncs/tst_asu_as_one_ncs_copy.py", ["$D/ncs/ncs.py", "exercise"], "$D/regression/tst_adp_restraints.py", # Xtriage "$D/scaling/tst_scaling.py", "$D/scaling/tst_outlier.py", "$D/scaling/tst_absences.py", "$D/scaling/tst_xtriage.py", "$D/scaling/tst_xtriage_twin_analyses.py", "$D/scaling/matthews.py", "$D/scaling/absence_likelihood.py", ["$D/scaling/thorough_outlier_test.py", "P21"], "$D/twinning/probabalistic_detwinning.py", #"$D/scaling/tst_xtriage_massage_data.py", # monomer library "$D/monomer_library/tst_rna_sugar_pucker_analysis.py", "$D/monomer_library/tst_cif_types.py", "$D/monomer_library/tst_motif.py", "$D/monomer_library/tst_cif_triage.py", "$D/monomer_library/tst_rotamer_utils.py", "$D/monomer_library/tst_selection.py", "$D/monomer_library/tst_tyr_from_gly_and_bnz.py", "$D/monomer_library/tst_pdb_interpretation.py", "$D/monomer_library/tst_rna_dna_interpretation.py", "$D/monomer_library/tst_protein_interpretation.py", "$D/monomer_library/tst_geo_reduce_for_tardy.py", "$D/monomer_library/tst_chg.py", "$D/monomer_library/tst_neutron_distance.py", # "$D/regression/tst_altloc_remediate.py", "$D/regression/tst_altloc_chain_break.py", "$D/hydrogens/build_hydrogens.py", "$D/hydrogens/tst.py", "$D/max_lik/tst_maxlik.py", "$D/masks/tst_masks.py", "$D/masks/tst_asu_mask.py", "$D/max_lik/tst_max_lik.py", "$D/dynamics/tst_cartesian_dynamics.py", "$D/dynamics/tst_sa.py", "$D/tls/tst_tls.py", "$D/tls/tst_tls_as_xyz.py", "$D/tls/tst_get_t_scheme.py", "$D/tls/tst_tls_refinement_fft.py", "$D/examples/f_model_manager.py", "$D/bulk_solvent/tst_bulk_solvent_and_scaling.py", "$D/bulk_solvent/tst_fit_kexpb_to_ktotal.py", "$D/bulk_solvent/tst_scaler.py", "$D/alignment.py", "$D/invariant_domain.py", "$D/secondary_structure/tst.py", "$D/geometry_restraints/tst_hbond.py", "$D/geometry_restraints/tst_reference_coordinate.py", "$D/conformation_dependent_library/test_cdl.py", "$D/regression/tst_sequence_validation.py", "$D/regression/tst_prune_model.py", "$D/regression/tst_real_space_correlation.py", "$D/regression/tst_examples.py", "$D/regression/tst_sort_hetatms.py", # real-space tools "$D/refinement/real_space/tst_fit_residue_1.py", "$D/refinement/real_space/tst_fit_residue_2.py", "$D/refinement/real_space/tst_fit_residue_3.py", "$D/refinement/real_space/tst_fit_residue_4.py", "$D/refinement/real_space/tst_fit_residue_5.py", "$D/refinement/real_space/tst_fit_residues_1.py", "$D/refinement/real_space/tst_fit_residues_2.py", "$D/refinement/real_space/tst_individual_sites_1.py", "$D/refinement/real_space/tst_individual_sites_2.py", "$D/refinement/real_space/tst_individual_sites_3.py", "$D/refinement/real_space/tst_monitor.py", "$D/refinement/real_space/tst_rigid_body.py", "$D/refinement/real_space/tst_fit_water.py", # "$D/regression/tst_dssp.py", "$D/building/tst.py", "$D/building/alternate_conformations/tst.py", "$D/regression/tst_validation_summary.py", "$D/regression/tst_maps_misc.py", "$D/regression/tst_cablam.py", "$D/regression/tst_anomalous_substructure.py", "$D/regression/tst_map_coeffs_simple.py", # ion picking "$D/ions/tst_parameters.py", "$D/ions/tst_pick_ca.py", "$D/ions/tst_pick_mg.py", "$D/ions/tst_pick_approx_zn.py", "$D/ions/tst_validate_ca.py", "$D/ions/tst_validate_mg.py", #"$D/ions/tst_validate_zn.py", # FIXME "$D/ions/tst_symmetry_axis.py", # "$D/regression/tst_ringer.py", "$D/regression/tst_fmodel_no_cryst1.py", "$D/regression/tst_fmodel_misc.py", "$D/regression/tst_isomorphous_difference_misc.py", "$D/regression/tst_b_factor_statistics.py", "$D/regression/tst_geo_min_restraints_phil.py", "$D/regression/tst_dynamics_cli.py", "$D/ligands/tst_xtal_screens.py", "$D/regression/tst_mtz2map.py", # validation/molprobity "$D/validation/regression/tst_waters.py", "$D/validation/regression/tst_nqh_minimize.py", "$D/validation/regression/tst_mp_geo.py", "$D/validation/regression/tst_rotalyze.py", "$D/validation/regression/tst_ramalyze.py", "$D/validation/regression/tst_cbetadev.py", "$D/validation/regression/tst_clashscore.py", "$D/validation/regression/tst_restraints.py", "$D/validation/regression/tst_rna_validate.py", "$D/validation/regression/tst_model_properties.py", "$D/validation/regression/tst_experimental.py", "$D/validation/regression/tst_molprobity_1.py", "$D/validation/regression/tst_molprobity_2.py", # "$D/refinement/tst_select_best_starting_model.py", "$D/regression/tst_refine_anomalous_substructure.py", "$D/regression/tst_command_line_input.py", "$D/regression/tst_cif_as_mtz_wavelengths.py", "$D/building/tst_extend_sidechains.py", "$D/regression/tst_build_alt_confs.py", "$D/refinement/tst_group.py", "$D/refinement/tst_group_2.py", "$D/regression/tst_phenix_angle.py", "$D/secondary_structure/build/tst_1.py", "$D/secondary_structure/build/tst_2.py", "$D/utils/tst_switch_rotamers.py", "$D/refinement/tst_occupancy_selections.py", "$D/disorder/tst.py", "$D/disorder/tst_backbone.py", "$D/disorder/tst_analyze_model.py", "$D/refinement/tst_minimization_ncs_constraints.py", "$D/refinement/tst_minimization_ncs_constraints2.py", "$D/refinement/real_space/tst_minimization_ncs_constraints.py", "$D/monomer_library/tst_correct_hydrogens.py", # automatic linking ["$D/monomer_library/tst_linking.py", "1"], ["$D/monomer_library/tst_linking.py", "2"], ["$D/monomer_library/tst_linking.py", "3"], ["$D/monomer_library/tst_linking.py", "4"], ["$D/monomer_library/tst_linking.py", "5"], ["$D/monomer_library/tst_linking.py", "6"], ["$D/monomer_library/tst_linking.py", "7"], ["$D/monomer_library/tst_linking.py", "8"], ["$D/monomer_library/tst_linking.py", "9"], ["$D/monomer_library/tst_linking.py", "10"], ["$D/monomer_library/tst_linking.py", "11"], ["$D/monomer_library/tst_linking.py", "12"], ["$D/monomer_library/tst_linking.py", "13"], ["$D/monomer_library/tst_linking.py", "14"], ["$D/monomer_library/tst_linking.py", "15"], ["$D/monomer_library/tst_linking.py", "16"], ["$D/monomer_library/tst_linking.py", "17"], ["$D/monomer_library/tst_linking.py", "18"], ["$D/monomer_library/tst_linking.py", "19"], ["$D/monomer_library/tst_linking.py", "20"], ["$D/monomer_library/tst_linking.py", "21"], ["$D/monomer_library/tst_linking.py", "22"], ["$D/monomer_library/tst_linking.py", "23"], ["$D/monomer_library/tst_linking.py", "24"], ["$D/monomer_library/tst_linking.py", "25"], # "$D/regression/tst_anneal_real_space.py", "$D/regression/tst_generate_disorder.py", "$D/secondary_structure/tst_base_pairing.py", "$D/ions/tst_pick_ca_svm.py", "$D/scaling/tst_plan_sad_experiment.py", ) def run(): build_dir = libtbx.env.under_build("mmtbx") dist_dir = libtbx.env.dist_path("mmtbx") test_utils.run_tests(build_dir, dist_dir, tst_list) if (__name__ == "__main__"): run()