Coverage report: 88%

Files Functions Classes

coverage.py v7.9.2, created at 2025-07-15 07:34 +0000

File function statements missing excluded branches partial coverage
local_installation/dynasor/__init__.py (no function) 8 0 0 0 0 100%
local_installation/dynasor/core/__init__.py (no function) 0 0 0 0 0 100%
local_installation/dynasor/core/reciprocal.py calc_rho_q 8 0 0 0 0 100%
local_installation/dynasor/core/reciprocal.py calc_rho_j_q 12 0 0 0 0 100%
local_installation/dynasor/core/reciprocal.py (no function) 5 0 0 0 0 100%
local_installation/dynasor/core/time_averager.py TimeAverager.__init__ 5 0 0 0 0 100%
local_installation/dynasor/core/time_averager.py TimeAverager.add_sample 3 0 0 0 0 100%
local_installation/dynasor/core/time_averager.py TimeAverager.get_average_at_timelag 4 0 0 2 0 100%
local_installation/dynasor/core/time_averager.py TimeAverager.get_average_all 1 0 0 0 0 100%
local_installation/dynasor/core/time_averager.py (no function) 6 0 0 0 0 100%
local_installation/dynasor/correlation_functions.py compute_dynamic_structure_factors 120 0 0 44 0 100%
local_installation/dynasor/correlation_functions.py compute_dynamic_structure_factors.f2_rho 6 0 0 2 0 100%
local_installation/dynasor/correlation_functions.py compute_dynamic_structure_factors.f2_rho_and_j 16 0 0 2 0 100%
local_installation/dynasor/correlation_functions.py compute_dynamic_structure_factors.calc_corr 22 0 0 14 0 100%
local_installation/dynasor/correlation_functions.py compute_static_structure_factors 31 0 0 14 0 100%
local_installation/dynasor/correlation_functions.py compute_static_structure_factors.f2_rho 6 0 0 2 0 100%
local_installation/dynasor/correlation_functions.py compute_spectral_energy_density 53 1 0 14 2 96%
local_installation/dynasor/correlation_functions.py _sed_inner_loop 14 14 0 10 0 0%
local_installation/dynasor/correlation_functions.py (no function) 22 0 0 0 0 100%
local_installation/dynasor/logging_tools.py set_logging_level 1 0 0 0 0 100%
local_installation/dynasor/logging_tools.py (no function) 9 0 0 0 0 100%
local_installation/dynasor/modes/__init__.py (no function) 0 0 0 0 0 100%
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local_installation/dynasor/modes/atoms.py DynasorAtoms.pos 1 0 0 0 0 100%
local_installation/dynasor/modes/atoms.py DynasorAtoms.positions 1 0 0 0 0 100%
local_installation/dynasor/modes/atoms.py DynasorAtoms.spos 1 0 0 0 0 100%
local_installation/dynasor/modes/atoms.py DynasorAtoms.scaled_positions 1 1 0 0 0 0%
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local_installation/dynasor/modes/atoms.py DynasorAtoms.inv_cell 1 0 0 0 0 100%
local_installation/dynasor/modes/atoms.py DynasorAtoms.numbers 1 0 0 0 0 100%
local_installation/dynasor/modes/atoms.py DynasorAtoms.masses 1 0 0 0 0 100%
local_installation/dynasor/modes/atoms.py DynasorAtoms.volume 1 0 0 0 0 100%
local_installation/dynasor/modes/atoms.py DynasorAtoms.n_atoms 1 0 0 0 0 100%
local_installation/dynasor/modes/atoms.py DynasorAtoms.symbols 1 0 0 0 0 100%
local_installation/dynasor/modes/atoms.py DynasorAtoms.to_ase 1 0 0 0 0 100%
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local_installation/dynasor/modes/atoms.py Supercell.P_inv 1 0 0 0 0 100%
local_installation/dynasor/modes/atoms.py Supercell.offsets 1 0 0 0 0 100%
local_installation/dynasor/modes/atoms.py Supercell.indices 1 0 0 0 0 100%
local_installation/dynasor/modes/atoms.py Supercell.n_cells 1 0 0 0 0 100%
local_installation/dynasor/modes/atoms.py Supercell.__str__ 2 0 0 0 0 100%
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local_installation/dynasor/modes/band.py Band.qpoint 1 1 0 0 0 0%
local_installation/dynasor/modes/band.py Band.omega 1 1 0 0 0 0%
local_installation/dynasor/modes/band.py Band.polarization 1 1 0 0 0 0%
local_installation/dynasor/modes/band.py Band.eigenmode 1 1 0 0 0 0%
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local_installation/dynasor/modes/band.py Band.F 1 1 0 0 0 0%
local_installation/dynasor/modes/band.py (no function) 32 1 1 2 1 94%
local_installation/dynasor/modes/complex_coordinate.py ComplexCoordinate.__init__ 3 3 0 0 0 0%
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local_installation/dynasor/modes/complex_coordinate.py ComplexCoordinate.__complex__ 1 1 0 0 0 0%
local_installation/dynasor/modes/complex_coordinate.py ComplexCoordinate.band 1 1 0 0 0 0%
local_installation/dynasor/modes/complex_coordinate.py ComplexCoordinate.complex 1 1 0 0 0 0%
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local_installation/dynasor/modes/complex_coordinate.py ComplexCoordinate.phase 2 2 0 0 0 0%
local_installation/dynasor/modes/complex_coordinate.py ComplexCoordinate.phase 3 3 0 0 0 0%
local_installation/dynasor/modes/complex_coordinate.py ComplexCoordinate.amplitude 2 2 0 0 0 0%
local_installation/dynasor/modes/complex_coordinate.py ComplexCoordinate.amplitude 2 2 0 0 0 0%
local_installation/dynasor/modes/complex_coordinate.py Q.__str__ 2 2 0 0 0 0%
local_installation/dynasor/modes/complex_coordinate.py P.__str__ 2 2 0 0 0 0%
local_installation/dynasor/modes/complex_coordinate.py F.__str__ 2 2 0 0 0 0%
local_installation/dynasor/modes/complex_coordinate.py (no function) 30 1 1 2 1 94%
local_installation/dynasor/modes/mode_projector.py ModeProjector.__init__ 56 5 0 22 5 87%
local_installation/dynasor/modes/mode_projector.py ModeProjector.__str__ 17 0 0 2 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.__repr__ 0 0 1 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.__getitem__ 3 0 0 2 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.__call__ 5 1 0 4 1 78%
local_installation/dynasor/modes/mode_projector.py ModeProjector.get_Q 1 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.get_P 1 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.get_F 1 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.get_F_harmonic 1 1 0 0 0 0%
local_installation/dynasor/modes/mode_projector.py ModeProjector.set_Q 5 1 0 2 1 71%
local_installation/dynasor/modes/mode_projector.py ModeProjector.set_P 5 1 0 2 1 71%
local_installation/dynasor/modes/mode_projector.py ModeProjector.set_F 5 1 0 2 1 71%
local_installation/dynasor/modes/mode_projector.py ModeProjector.get_u 3 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.get_v 3 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.get_f 3 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.get_f_harmonic 4 4 0 0 0 0%
local_installation/dynasor/modes/mode_projector.py ModeProjector.set_u 2 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.set_v 2 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.set_f 2 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.get_atoms 7 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.update_from_atoms 11 2 0 4 2 73%
local_installation/dynasor/modes/mode_projector.py ModeProjector.q_minus 1 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.q_reduced 1 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.q_cartesian 1 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.omegas 1 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.polarizations 1 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.eigenmodes 1 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.potential_energies 1 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.kinetic_energies 1 0 0 0 0 100%
local_installation/dynasor/modes/mode_projector.py ModeProjector.virial_energies 1 0 0 0 0 100%
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local_installation/dynasor/modes/project_modes.py (no function) 8 0 0 0 0 100%
local_installation/dynasor/modes/qpoint.py QPoint.__init__ 2 0 0 0 0 100%
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local_installation/dynasor/modes/qpoint.py QPoint.polarizations 1 0 0 0 0 100%
local_installation/dynasor/modes/qpoint.py QPoint.omegas 1 0 0 0 0 100%
local_installation/dynasor/modes/qpoint.py QPoint.is_real 1 0 0 0 0 100%
local_installation/dynasor/modes/qpoint.py QPoint.index 1 0 0 0 0 100%
local_installation/dynasor/modes/qpoint.py QPoint.wavenumber 1 0 0 0 0 100%
local_installation/dynasor/modes/qpoint.py QPoint.wavelength 1 0 0 0 0 100%
local_installation/dynasor/modes/qpoint.py QPoint.q_reduced 1 0 0 0 0 100%
local_installation/dynasor/modes/qpoint.py QPoint.q_cartesian 1 0 0 0 0 100%
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local_installation/dynasor/modes/qpoint.py QPoint.kinetic_energies 1 0 0 0 0 100%
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local_installation/dynasor/modes/qpoint.py (no function) 34 0 1 0 0 100%
local_installation/dynasor/modes/tools.py get_displacements 2 0 0 0 0 100%
local_installation/dynasor/modes/tools.py get_wrapped_displacements 3 0 0 2 1 80%
local_installation/dynasor/modes/tools.py find_permutation 11 2 0 8 2 79%
local_installation/dynasor/modes/tools.py trace 1 0 0 0 0 100%
local_installation/dynasor/modes/tools.py det 7 0 0 4 0 100%
local_installation/dynasor/modes/tools.py inv 12 1 0 4 1 88%
local_installation/dynasor/modes/tools.py symmetrize_eigenvectors 9 0 0 2 1 91%
local_installation/dynasor/modes/tools.py factor_analysis 14 3 0 6 1 70%
local_installation/dynasor/modes/tools.py group_eigvals 7 0 0 4 0 100%
local_installation/dynasor/modes/tools.py as_fraction 11 11 0 8 0 0%
local_installation/dynasor/modes/tools.py get_dynamical_matrix 15 15 0 8 0 0%
local_installation/dynasor/modes/tools.py make_table 4 4 0 2 0 0%
local_installation/dynasor/modes/tools.py (no function) 19 0 0 0 0 100%
local_installation/dynasor/post_processing/__init__.py (no function) 10 0 0 0 0 100%
local_installation/dynasor/post_processing/atomic_weighting.py get_weighted_sample 46 0 0 24 1 99%
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local_installation/dynasor/post_processing/atomic_weighting.py _compute_weighting_incoherent 9 0 0 2 0 100%
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local_installation/dynasor/post_processing/average_runs.py get_sample_averaged_over_independent_runs 28 1 0 24 2 94%
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local_installation/dynasor/post_processing/electron_scattering_factors.py ElectronScatteringFactors.__init__ 11 0 0 4 0 100%
local_installation/dynasor/post_processing/electron_scattering_factors.py ElectronScatteringFactors.get_weight_coh 1 0 0 0 0 100%
local_installation/dynasor/post_processing/electron_scattering_factors.py ElectronScatteringFactors._get_charge 6 0 0 2 0 100%
local_installation/dynasor/post_processing/electron_scattering_factors.py ElectronScatteringFactors._compute_f 12 0 0 6 0 100%
local_installation/dynasor/post_processing/electron_scattering_factors.py ElectronScatteringFactors._read_scattering_factors 14 1 0 6 1 90%
local_installation/dynasor/post_processing/electron_scattering_factors.py (no function) 14 0 0 0 0 100%
local_installation/dynasor/post_processing/neutron_scattering_lengths.py NeutronScatteringLengths.__init__ 23 0 0 14 0 100%
local_installation/dynasor/post_processing/neutron_scattering_lengths.py NeutronScatteringLengths.abundances 6 0 0 4 0 100%
local_installation/dynasor/post_processing/neutron_scattering_lengths.py _read_scattering_lengths 16 0 0 10 0 100%
local_installation/dynasor/post_processing/neutron_scattering_lengths.py (no function) 11 0 0 0 0 100%
local_installation/dynasor/post_processing/spherical_average.py get_spherically_averaged_sample_smearing 19 1 0 12 1 94%
local_installation/dynasor/post_processing/spherical_average.py get_spherically_averaged_sample_binned 17 0 0 10 0 100%
local_installation/dynasor/post_processing/spherical_average.py _get_gaussian_average 9 0 0 4 1 92%
local_installation/dynasor/post_processing/spherical_average.py _get_gaussian_sum 6 6 0 2 0 0%
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local_installation/dynasor/post_processing/spherical_average.py _get_bin_average 28 0 0 6 0 100%
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local_installation/dynasor/post_processing/weights.py Weights.__init__ 3 0 0 0 0 100%
local_installation/dynasor/post_processing/weights.py Weights.get_weight_coh 3 0 0 2 0 100%
local_installation/dynasor/post_processing/weights.py Weights.get_weight_incoh 5 1 0 4 1 78%
local_installation/dynasor/post_processing/weights.py Weights.supports_currents 1 0 0 0 0 100%
local_installation/dynasor/post_processing/weights.py Weights.supports_incoherent 1 0 0 0 0 100%
local_installation/dynasor/post_processing/weights.py Weights.__str__ 9 9 0 6 0 0%
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local_installation/dynasor/post_processing/x_ray_form_factors.py XRayFormFactors.__init__ 16 0 0 6 0 100%
local_installation/dynasor/post_processing/x_ray_form_factors.py XRayFormFactors.get_weight_coh 1 0 0 0 0 100%
local_installation/dynasor/post_processing/x_ray_form_factors.py XRayFormFactors._compute_f0 11 1 0 8 1 89%
local_installation/dynasor/post_processing/x_ray_form_factors.py XRayFormFactors._get_f0 4 0 0 2 0 100%
local_installation/dynasor/post_processing/x_ray_form_factors.py XRayFormFactors._read_form_factors 15 1 0 4 1 89%
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local_installation/dynasor/qpoints/__init__.py (no function) 3 0 0 0 0 100%
local_installation/dynasor/qpoints/lattice.py Lattice.__init__ 5 0 0 0 0 100%
local_installation/dynasor/qpoints/lattice.py Lattice.primitive 1 0 0 0 0 100%
local_installation/dynasor/qpoints/lattice.py Lattice.supercell 1 0 0 0 0 100%
local_installation/dynasor/qpoints/lattice.py Lattice.reciprocal_primitive 1 0 0 0 0 100%
local_installation/dynasor/qpoints/lattice.py Lattice.reciprocal_supercell 1 0 0 0 0 100%
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local_installation/dynasor/qpoints/lattice.py Lattice.cartesian_to_reduced 1 0 0 0 0 100%
local_installation/dynasor/qpoints/lattice.py Lattice.make_path 10 0 0 2 0 100%
local_installation/dynasor/qpoints/lattice.py (no function) 23 0 1 0 0 100%
local_installation/dynasor/qpoints/spherical_qpoints.py get_spherical_qpoints 24 0 0 4 1 96%
local_installation/dynasor/qpoints/spherical_qpoints.py _get_prune_distance 16 1 0 2 1 89%
local_installation/dynasor/qpoints/spherical_qpoints.py _get_prune_distance.original_eq 1 0 0 0 0 100%
local_installation/dynasor/qpoints/spherical_qpoints.py (no function) 6 0 0 0 0 100%
local_installation/dynasor/qpoints/tools.py get_supercell_qpoints_along_path 12 1 0 6 1 89%
local_installation/dynasor/qpoints/tools.py find_on_line 15 0 0 8 0 100%
local_installation/dynasor/qpoints/tools.py solve_Diophantine 13 0 0 6 0 100%
local_installation/dynasor/qpoints/tools.py get_commensurate_lattice_points 13 0 0 4 0 100%
local_installation/dynasor/qpoints/tools.py (no function) 10 0 0 0 0 100%
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local_installation/dynasor/sample.py Sample.dimensions 2 0 0 0 0 100%
local_installation/dynasor/sample.py Sample.atom_types 3 1 0 2 1 60%
local_installation/dynasor/sample.py Sample.particle_counts 3 1 0 2 1 60%
local_installation/dynasor/sample.py Sample.pairs 3 1 0 2 1 60%
local_installation/dynasor/sample.py Sample.cell 3 1 0 2 1 60%
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local_installation/dynasor/tools/damped_harmonic_oscillator.py acf_velocity_dho 11 0 0 4 0 100%
local_installation/dynasor/tools/damped_harmonic_oscillator.py psd_position_dho 1 0 0 0 0 100%
local_installation/dynasor/tools/damped_harmonic_oscillator.py psd_velocity_dho 1 0 0 0 0 100%
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local_installation/dynasor/trajectory/__init__.py (no function) 2 0 0 0 0 100%
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local_installation/dynasor/trajectory/extxyz_trajectory_reader.py ExtxyzTrajectoryReader.__init__ 11 2 0 4 2 73%
local_installation/dynasor/trajectory/extxyz_trajectory_reader.py ExtxyzTrajectoryReader._get_next 13 0 0 2 0 100%
local_installation/dynasor/trajectory/extxyz_trajectory_reader.py ExtxyzTrajectoryReader.__iter__ 1 0 0 0 0 100%
local_installation/dynasor/trajectory/extxyz_trajectory_reader.py ExtxyzTrajectoryReader.close 3 0 0 2 0 100%
local_installation/dynasor/trajectory/extxyz_trajectory_reader.py ExtxyzTrajectoryReader.__next__ 7 1 0 4 1 82%
local_installation/dynasor/trajectory/extxyz_trajectory_reader.py (no function) 14 0 0 0 0 100%
local_installation/dynasor/trajectory/lammps_trajectory_reader.py LammpsTrajectoryReader.__init__ 19 6 0 8 4 63%
local_installation/dynasor/trajectory/lammps_trajectory_reader.py LammpsTrajectoryReader._read_frame_header 27 7 0 18 4 71%
local_installation/dynasor/trajectory/lammps_trajectory_reader.py LammpsTrajectoryReader._get_first 34 8 0 14 4 71%
local_installation/dynasor/trajectory/lammps_trajectory_reader.py LammpsTrajectoryReader._get_first._all_in_cols 4 0 0 4 0 100%
local_installation/dynasor/trajectory/lammps_trajectory_reader.py LammpsTrajectoryReader._get_next 12 1 0 4 1 88%
local_installation/dynasor/trajectory/lammps_trajectory_reader.py LammpsTrajectoryReader.__iter__ 1 0 0 0 0 100%
local_installation/dynasor/trajectory/lammps_trajectory_reader.py LammpsTrajectoryReader.close 2 0 0 2 0 100%
local_installation/dynasor/trajectory/lammps_trajectory_reader.py LammpsTrajectoryReader.__next__ 9 1 0 6 1 87%
local_installation/dynasor/trajectory/lammps_trajectory_reader.py (no function) 15 0 0 0 0 100%
local_installation/dynasor/trajectory/mdanalysis_trajectory_reader.py MDAnalysisTrajectoryReader.__init__ 37 0 0 10 0 100%
local_installation/dynasor/trajectory/mdanalysis_trajectory_reader.py MDAnalysisTrajectoryReader._get_next 11 0 0 4 0 100%
local_installation/dynasor/trajectory/mdanalysis_trajectory_reader.py MDAnalysisTrajectoryReader.__iter__ 1 0 0 0 0 100%
local_installation/dynasor/trajectory/mdanalysis_trajectory_reader.py MDAnalysisTrajectoryReader.__next__ 7 0 0 4 0 100%
local_installation/dynasor/trajectory/mdanalysis_trajectory_reader.py MDAnalysisTrajectoryReader.close 3 0 0 2 0 100%
local_installation/dynasor/trajectory/mdanalysis_trajectory_reader.py (no function) 12 0 0 0 0 100%
local_installation/dynasor/trajectory/trajectory.py Trajectory.__init__ 61 1 0 40 1 98%
local_installation/dynasor/trajectory/trajectory.py Trajectory.__iter__ 1 0 0 0 0 100%
local_installation/dynasor/trajectory/trajectory.py Trajectory.__next__ 5 0 0 0 0 100%
local_installation/dynasor/trajectory/trajectory.py Trajectory.__str__ 9 9 0 0 0 0%
local_installation/dynasor/trajectory/trajectory.py Trajectory.__repr__ 0 0 1 0 0 100%
local_installation/dynasor/trajectory/trajectory.py Trajectory._repr_html_ 12 0 0 0 0 100%
local_installation/dynasor/trajectory/trajectory.py Trajectory.cell 1 0 0 0 0 100%
local_installation/dynasor/trajectory/trajectory.py Trajectory.n_atoms 1 0 0 0 0 100%
local_installation/dynasor/trajectory/trajectory.py Trajectory.filename 1 0 0 0 0 100%
local_installation/dynasor/trajectory/trajectory.py Trajectory.atomic_indices 4 0 0 2 0 100%
local_installation/dynasor/trajectory/trajectory.py Trajectory.atom_types 1 0 0 0 0 100%
local_installation/dynasor/trajectory/trajectory.py Trajectory.frame_step 1 0 0 0 0 100%
local_installation/dynasor/trajectory/trajectory.py consume 3 1 0 2 1 60%
local_installation/dynasor/trajectory/trajectory.py WindowIterator.__init__ 9 0 0 2 0 100%
local_installation/dynasor/trajectory/trajectory.py WindowIterator.__iter__ 1 0 0 0 0 100%
local_installation/dynasor/trajectory/trajectory.py WindowIterator.__next__ 12 0 0 10 0 100%
local_installation/dynasor/trajectory/trajectory.py (no function) 36 0 1 0 0 100%
local_installation/dynasor/trajectory/trajectory_frame.py TrajectoryFrame.__init__ 9 0 0 6 0 100%
local_installation/dynasor/trajectory/trajectory_frame.py TrajectoryFrame.get_positions_as_array 8 0 0 4 0 100%
local_installation/dynasor/trajectory/trajectory_frame.py TrajectoryFrame.get_velocities_as_array 8 0 0 4 0 100%
local_installation/dynasor/trajectory/trajectory_frame.py TrajectoryFrame.frame_index 1 0 0 0 0 100%
local_installation/dynasor/trajectory/trajectory_frame.py TrajectoryFrame.__str__ 7 0 0 6 0 100%
local_installation/dynasor/trajectory/trajectory_frame.py TrajectoryFrame.__repr__ 0 0 1 0 0 100%
local_installation/dynasor/trajectory/trajectory_frame.py TrajectoryFrame._repr_html_ 13 0 0 6 1 95%
local_installation/dynasor/trajectory/trajectory_frame.py (no function) 20 0 1 0 0 100%
local_installation/dynasor/units.py (no function) 9 0 0 0 0 100%
Total   2367 242 21 658 63 88%

No items found using the specified filter.