def test_collect_peak_pairs(shift, expected_pairs, expected_matches):
"""Test finding expected peak matches for tolerance=0.2 and given shift."""
spec1 = numpy.array([[100, 200, 300, 500],
[0.1, 0.1, 1.0, 1.0]], dtype="float").T
spec2 = numpy.array([[105, 205.1, 300, 500.1],
[0.1, 0.1, 1.0, 1.0]], dtype="float").T
matching_pairs = numpy.array(collect_peak_pairs.py_func(spec1, spec2, tolerance=0.2, shift=shift))
assert matching_pairs.shape == expected_matches, "Expected different number of matching peaks"
assert numpy.allclose(matching_pairs, numpy.array(expected_pairs), atol=1e-8), "Expected different values."
def test_collect_peak_pairs_no_matches(numba_compiled):
"""Test function for no matching peaks."""
shift = -20.0
spec1 = numpy.array([[100, 200, 300, 500],
[0.1, 0.1, 1.0, 1.0]], dtype="float").T
spec2 = numpy.array([[105, 205.1, 300, 500.1],
[0.1, 0.1, 1.0, 1.0]], dtype="float").T
if numba_compiled:
matching_pairs = collect_peak_pairs(spec1, spec2, tolerance=0.2, shift=shift)
else:
matching_pairs = collect_peak_pairs.py_func(spec1, spec2, tolerance=0.2, shift=shift)
assert matching_pairs is None, "Expected pairs to be None."
def test_collect_peak_pairs(shift, expected_pairs):
"""Test finding expected peak matches for tolerance=0.2 and given shift."""
spec1 = numpy.array([[100, 200, 300, 500], [0.1, 0.1, 1.0, 1.0]],
dtype="float").T
spec2 = numpy.array([[105, 205.1, 300, 500.1], [0.1, 0.1, 1.0, 1.0]],
dtype="float").T
matching_pairs = collect_peak_pairs.py_func(spec1,
spec2,
tolerance=0.2,
shift=shift)
assert len(
matching_pairs) == 2, "Expected different number of matching peaks"
assert matching_pairs == [pytest.approx(x, 1e-9) for x in expected_pairs
], "Expected different pairs."