Coverage report: 59%

Files Functions Classes

coverage.py v7.9.1, created at 2025-06-14 18:46 +0200

File statements missing excluded coverage
gamdpy/__init__.py 34 0 0 100%
gamdpy/calculators/__init__.py 5 0 0 100%
gamdpy/calculators/calculator_hydrodynamic_correlations.py 74 20 0 73%
gamdpy/calculators/calculator_hydrodynamic_profile.py 55 6 0 89%
gamdpy/calculators/calculator_radial_distribution.py 94 21 0 78%
gamdpy/calculators/calculator_structure_factor.py 142 34 0 76%
gamdpy/calculators/calculator_widom_insertion.py 94 35 0 63%
gamdpy/cc_cores_per_SM_dict.py 1 0 0 100%
gamdpy/configuration/Configuration.py 360 73 0 80%
gamdpy/configuration/__init__.py 1 0 0 100%
gamdpy/configuration/colarray.py 37 1 0 97%
gamdpy/configuration/make_lattice.py 26 1 0 96%
gamdpy/configuration/old_input_output.py 150 12 0 92%
gamdpy/configuration/topology.py 123 24 0 80%
gamdpy/configuration/unit_cells.py 3 0 0 100%
gamdpy/integrators/NPT_Atomic.py 57 2 100 96%
gamdpy/integrators/NPT_Langevin.py 154 86 0 44%
gamdpy/integrators/NVE.py 62 32 0 48%
gamdpy/integrators/NVT.py 89 42 0 53%
gamdpy/integrators/NVT_Langevin.py 80 37 0 54%
gamdpy/integrators/NVU_RT.py 723 701 0 3%
gamdpy/integrators/SLLOD.py 45 1 176 98%
gamdpy/integrators/__init__.py 8 0 0 100%
gamdpy/integrators/integrator.py 9 2 0 78%
gamdpy/interactions/__init__.py 13 0 0 100%
gamdpy/interactions/angles.py 126 57 0 55%
gamdpy/interactions/bonds.py 102 38 0 63%
gamdpy/interactions/dihedrals.py 153 52 0 66%
gamdpy/interactions/gravity.py 53 14 0 74%
gamdpy/interactions/interaction.py 121 68 0 44%
gamdpy/interactions/make_fixed_interactions.py 27 15 0 44%
gamdpy/interactions/nblist.py 107 55 0 49%
gamdpy/interactions/nblist_linked_lists.py 61 1 126 98%
gamdpy/interactions/pair_potential.py 204 106 0 48%
gamdpy/interactions/planar.py 50 17 0 66%
gamdpy/interactions/planar_interactions.py 40 0 24 100%
gamdpy/interactions/potential_functions/LJ_12_6.py 9 0 0 100%
gamdpy/interactions/potential_functions/LJ_12_6_sigma_epsilon.py 13 0 0 100%
gamdpy/interactions/potential_functions/SAAP.py 28 0 0 100%
gamdpy/interactions/potential_functions/__init__.py 14 0 0 100%
gamdpy/interactions/potential_functions/add_potential_functions.py 6 0 4 100%
gamdpy/interactions/potential_functions/apply_shifted_force_cutoff.py 4 0 9 100%
gamdpy/interactions/potential_functions/apply_shifted_potential_cutoff.py 7 0 7 100%
gamdpy/interactions/potential_functions/cos_angle_function.py 12 7 0 42%
gamdpy/interactions/potential_functions/harmonic_bond_function.py 11 0 0 100%
gamdpy/interactions/potential_functions/harmonic_repulsion.py 12 0 0 100%
gamdpy/interactions/potential_functions/hertzian.py 13 0 0 100%
gamdpy/interactions/potential_functions/make_IPL_n.py 6 0 11 100%
gamdpy/interactions/potential_functions/make_LJ_m_n.py 6 0 13 100%
gamdpy/interactions/potential_functions/make_potential_function_from_sympy.py 15 0 5 100%
gamdpy/interactions/potential_functions/ryckbell_dihedral.py 12 7 0 42%
gamdpy/interactions/relaxtemp.py 61 22 0 64%
gamdpy/interactions/tether.py 63 12 0 81%
gamdpy/misc/__init__.py 0 0 0 100%
gamdpy/misc/extract_scalars.py 13 3 0 77%
gamdpy/misc/make_function.py 25 11 0 56%
gamdpy/misc/plot_molecule.py 26 4 0 85%
gamdpy/misc/plot_scalars.py 94 51 0 46%
gamdpy/misc/select_gpu.py 12 3 0 75%
gamdpy/runtime_actions/__init__.py 6 0 0 100%
gamdpy/runtime_actions/momentum_reset.py 76 28 0 63%
gamdpy/runtime_actions/restart_saver.py 41 11 0 73%
gamdpy/runtime_actions/runtime_action.py 59 12 0 80%
gamdpy/runtime_actions/scalar_saver.py 153 59 0 61%
gamdpy/runtime_actions/stress_saver.py 115 36 0 69%
gamdpy/runtime_actions/trajectory_saver.py 110 37 0 66%
gamdpy/simulation/Simulation.py 495 296 0 40%
gamdpy/simulation/__init__.py 0 0 0 100%
gamdpy/simulation/get_default_compute_flags.py 3 0 0 100%
gamdpy/simulation/get_default_compute_plan.py 49 5 0 90%
gamdpy/simulation/get_default_sim.py 14 0 0 100%
gamdpy/simulation_boxes/__init__.py 2 0 0 100%
gamdpy/simulation_boxes/lees_edwards.py 142 18 0 87%
gamdpy/simulation_boxes/orthorhombic.py 81 1 0 99%
gamdpy/simulation_boxes/simulationbox.py 40 13 0 68%
gamdpy/tools/ConfigurationIO.py 24 9 0 62%
gamdpy/tools/Evaluator.py 40 7 0 82%
gamdpy/tools/TrajectoryIO.py 135 29 0 79%
gamdpy/tools/__init__.py 5 0 0 100%
gamdpy/tools/calc_dynamics.py 96 44 0 54%
gamdpy/tools/print_h5.py 20 1 0 95%
gamdpy/tools/save_configuration.py 7 1 0 86%
gamdpy/visualization/__init__.py 1 0 0 100%
gamdpy/visualization/k3d_.py 48 40 0 17%
Total 5707 2320 475 59%

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