def test_target_function(
mock_single_Ih_table,
mock_multi_apm_withrestraints,
mock_multi_apm_withoutrestraints,
):
"""Test for the ScalingTarget class."""
# Create a scaling target and check gradients
target = ScalingTarget()
apm_restr = mock_multi_apm_withrestraints
apm_norestr = mock_multi_apm_withoutrestraints
# Below methods needed for refinement engine calls
r, w = target.compute_residuals(mock_single_Ih_table)
assert r.size() == w.size()
f, g = target.compute_functional_gradients(mock_single_Ih_table)
assert isinstance(f, float)
assert g.size(
) == 1 # Number of parameters as determined by deriv matrix cols
r, j, w = target.compute_residuals_and_gradients(mock_single_Ih_table)
assert r.size() == w.size()
assert j.n_cols == 1 # Number of parameters as determined by jacob matrix.
assert j.n_rows == r.size()
with pytest.raises(AssertionError):
_ = target.compute_functional_gradients_and_curvatures(
mock_single_Ih_table)
restraints = target.compute_restraints_residuals_and_gradients(apm_restr)
assert len(restraints) == 3
assert target.param_restraints is True
restraints = target.compute_restraints_functional_gradients_and_curvatures(
apm_restr)
assert len(restraints) == 3
achieved = target.achieved()
assert isinstance(achieved, bool)
restraints = target.compute_restraints_residuals_and_gradients(apm_norestr)
assert restraints is None
assert target.param_restraints is False
target = ScalingTarget(
) # Need to make new instance or won't calc restr as
# param_restraints is set to False
assert target.param_restraints is True
restraints = target.compute_restraints_functional_gradients_and_curvatures(
apm_norestr)
assert restraints is None
assert target.param_restraints is False
def test_target_function_restraints_methods(mock_apm_restrained,
mock_apm_unrestrained):
"""Test for the target restraints methods required for the refinement engine."""
target = ScalingTarget()
restraints = target.compute_restraints_residuals_and_gradients(
mock_apm_restrained)
assert len(restraints) == 3
assert target.param_restraints is True
assert list(restraints[0]) == [1.0, 1.1, 1.2]
assert list(restraints[2]) == [1.0, 2.0, 3.0]
restraints = target.compute_restraints_functional_gradients(
mock_apm_restrained)
assert len(restraints) == 2
assert restraints[0] == 6.0
assert list(restraints[1]) == [0.1, 0.2, 0.3]
achieved = target.achieved()
assert isinstance(achieved, bool)
restraints = target.compute_restraints_residuals_and_gradients(
mock_apm_unrestrained)
assert restraints is None
assert target.param_restraints is False
# Check that if called again, returns None without doing calculations
restraints = target.compute_restraints_residuals_and_gradients([])
assert restraints is None
target = ScalingTarget(
) # Need to make new instance or won't calc restr as
# param_restraints is set to False
assert target.param_restraints is True
restraints = target.compute_restraints_functional_gradients(
mock_apm_unrestrained)
assert restraints is None
assert target.param_restraints is False