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Update unit tests
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MBartkowiakSTFC committed Jan 2, 2024
1 parent 23b7c4d commit c574c2f
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Showing 4 changed files with 13 additions and 13 deletions.
2 changes: 1 addition & 1 deletion MDANSE/Tests/UnitTests/Analysis/test_dynamics.py
Original file line number Diff line number Diff line change
Expand Up @@ -39,7 +39,7 @@ def test_vacf(trajectory, interp_order, normalise):
parameters = {}
parameters['frames'] = (0, 10, 1)
parameters['interpolation_order'] = interp_order
parameters['output_files'] = (temp_name, ('hdf',))
parameters['output_files'] = (temp_name, ('HDFFormat',))
parameters['running_mode'] = ('monoprocessor',)
parameters['normalize'] = normalise
parameters['trajectory'] = short_traj
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8 changes: 4 additions & 4 deletions MDANSE/Tests/UnitTests/Analysis/test_meansquare.py
Original file line number Diff line number Diff line change
Expand Up @@ -44,7 +44,7 @@ def test_basic_meansquare(trajectory):
temp_name = tempfile.mktemp()
parameters = {}
parameters['frames'] = (0, 10, 1)
parameters['output_files'] = (temp_name, ('hdf',))
parameters['output_files'] = (temp_name, ('HDFFormat',))
parameters['running_mode'] = ('monoprocessor',)
parameters['trajectory'] = short_traj
msd = REGISTRY['job']['msd']()
Expand All @@ -57,15 +57,15 @@ def test_parallel_meansquare(trajectory):
temp_name = tempfile.mktemp()
parameters = {}
parameters['frames'] = (0, 10, 1)
parameters['output_files'] = (temp_name, ('hdf',))
parameters['output_files'] = (temp_name, ('HDFFormat',))
parameters['running_mode'] = ('monoprocessor',)
parameters['trajectory'] = short_traj
msd = REGISTRY['job']['msd']()
msd.run(parameters,status=True)
temp_name2 = tempfile.mktemp()
parameters = {}
parameters['frames'] = (0, 10, 1)
parameters['output_files'] = (temp_name2, ('hdf',))
parameters['output_files'] = (temp_name2, ('HDFFormat',))
parameters['running_mode'] = ('threadpool',4)
parameters['trajectory'] = short_traj
msd_par = REGISTRY['job']['msd']()
Expand All @@ -81,7 +81,7 @@ def test_atom_selection(trajectory):
temp_name = tempfile.mktemp()
parameters = {}
parameters['frames'] = (0, 10, 1)
parameters['output_files'] = (temp_name, ('hdf',))
parameters['output_files'] = (temp_name, ('HDFFormat',))
parameters['running_mode'] = ('monoprocessor',)
parameters['trajectory'] = short_traj
msd = REGISTRY['job']['msd']()
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10 changes: 5 additions & 5 deletions MDANSE/Tests/UnitTests/Analysis/test_scattering.py
Original file line number Diff line number Diff line change
Expand Up @@ -77,7 +77,7 @@ def test_dcsf(trajectory, qvector_spherical_lattice):
parameters['atom_transmutation'] = None
parameters['frames'] = (0, 10, 1)
parameters['instrument_resolution'] = ('ideal', {})
parameters['output_files'] = (temp_name, ('hdf',))
parameters['output_files'] = (temp_name, ('HDFFormat',))
parameters['q_vectors'] = qvector_spherical_lattice
parameters['running_mode'] = ('monoprocessor',)
parameters['trajectory'] = short_traj
Expand All @@ -95,7 +95,7 @@ def test_disf(trajectory, qvector_spherical_lattice):
parameters['atom_transmutation'] = None
parameters['frames'] = (0, 10, 1)
parameters['instrument_resolution'] = ('ideal', {})
parameters['output_files'] = (temp_name, ('hdf',))
parameters['output_files'] = (temp_name, ('HDFFormat',))
parameters['q_vectors'] = qvector_spherical_lattice
parameters['running_mode'] = ('monoprocessor',)
parameters['trajectory'] = short_traj
Expand All @@ -112,7 +112,7 @@ def test_eisf(trajectory, qvector_spherical_lattice):
parameters['atom_selection'] = None
parameters['atom_transmutation'] = None
parameters['frames'] = (0, 10, 1)
parameters['output_files'] = (temp_name, ('hdf',))
parameters['output_files'] = (temp_name, ('HDFFormat',))
parameters['q_vectors'] = qvector_spherical_lattice
parameters['running_mode'] = ('monoprocessor',)
parameters['trajectory'] = short_traj
Expand All @@ -130,7 +130,7 @@ def test_gdisf(trajectory):
parameters['atom_transmutation'] = None
parameters['frames'] = (0, 10, 1)
parameters['instrument_resolution'] = ('ideal', {})
parameters['output_files'] = (temp_name, ('hdf',))
parameters['output_files'] = (temp_name, ('HDFFormat',))
parameters['q_shells'] = (2.0,12.2,2.0)
parameters['running_mode'] = ('monoprocessor',)
parameters['trajectory'] = short_traj
Expand All @@ -148,7 +148,7 @@ def test_gdisf(trajectory):
# parameters['atom_transmutation'] = None
# parameters['frames'] = (0, 10, 1)
# parameters['instrument_resolution'] = ('ideal', {})
# parameters['output_files'] = (temp_name, ('hdf',))
# parameters['output_files'] = (temp_name, ('HDFFormat',))
# parameters['q_vectors'] = qvector_spherical_lattice
# parameters['running_mode'] = ('monoprocessor',)
# parameters['trajectory'] = short_traj
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6 changes: 3 additions & 3 deletions MDANSE/Tests/UnitTests/Analysis/test_thermodynamics.py
Original file line number Diff line number Diff line change
Expand Up @@ -36,7 +36,7 @@ def test_temperature(trajectory, interp_order):
parameters = {}
parameters['frames'] = (0, 10, 1)
parameters['interpolation_order'] = interp_order
parameters['output_files'] = (temp_name, ('hdf',))
parameters['output_files'] = (temp_name, ('HDFFormat',))
parameters['running_mode'] = ('monoprocessor',)
parameters['trajectory'] = short_traj
temp = IJob.create('Temperature')
Expand All @@ -51,7 +51,7 @@ def test_temperature_nonzero(trajectory, interp_order):
parameters = {}
parameters['frames'] = (0, 10, 1)
parameters['interpolation_order'] = interp_order
parameters['output_files'] = (temp_name, ('hdf',))
parameters['output_files'] = (temp_name, ('HDFFormat',))
parameters['running_mode'] = ('monoprocessor',)
parameters['trajectory'] = short_traj
temp = IJob.create('Temperature')
Expand All @@ -66,7 +66,7 @@ def test_density(trajectory):
temp_name = tempfile.mktemp()
parameters = {}
parameters['frames'] = (0, 10, 1)
parameters['output_files'] = (temp_name, ('hdf',))
parameters['output_files'] = (temp_name, ('HDFFormat',))
parameters['running_mode'] = ('monoprocessor',)
parameters['trajectory'] = short_traj
den = IJob.create('Density')
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