pdme/tests/util/test_fast_nonlocal_spectrum_pairs.py
Deepak Mallubhotla ab25de9558
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Python

import numpy
import pdme.util.fast_nonlocal_spectrum
import logging
import pytest
def test_fast_nonlocal_calc_multidipole():
d1 = [1, 2, 3, 4, 5, 6, 7]
d2 = [1, 2, 3, 4, 5, 6, 8]
d3 = [2, 5, 3, 4, -5, -6, 2]
d4 = [-3, 2, 1, 4, 5, 6, 10]
dipoleses = numpy.array([[d1, d2], [d3, d4]])
dot_pairs = numpy.array(
[[[-1, -2, -3, 11], [-1, 2, 5, 11]], [[-1, -2, -3, 6], [2, 4, 6, 6]]]
)
# expected_ij is for pair i, dipole j
expected_11 = 0.000021124454334947546213
expected_12 = 0.000022184755131682365135
expected_13 = 0.0000053860643617855849275
expected_14 = -0.0000023069501696755220764
expected_21 = 0.00022356021100884617796
expected_22 = 0.00021717277640859343002
expected_23 = 0.000017558321044891869169
expected_24 = -0.000034714318479634499683
expected = numpy.array(
[
[expected_11 + expected_12, expected_21 + expected_22],
[expected_13 + expected_14, expected_23 + expected_24],
]
)
# this is a bit silly but just set the logger to debug so that the coverage stats don't get affected by the debug statements.
pdme.util.fast_nonlocal_spectrum._logger.setLevel(logging.DEBUG)
numpy.testing.assert_allclose(
pdme.util.fast_nonlocal_spectrum.fast_s_nonlocal_dipoleses(
dot_pairs, dipoleses
),
expected,
err_msg="nonlocal voltages at dot aren't as expected for dipoleses.",
)
def test_fast_nonlocal_frequency_check_multidipole():
d1 = [1, 2, 3, 4, 5, 6, 7]
dipoles = numpy.array([[d1]])
dot_pairs = numpy.array([[[-1, -2, -3, 11], [-1, 2, 5, 10]]])
with pytest.raises(ValueError):
pdme.util.fast_nonlocal_spectrum.fast_s_nonlocal_dipoleses(dot_pairs, dipoles)