Sebastian Kloth
16233e2f2c
# Conflicts: # .gitignore # doc/conf.py # examples/plot_chi4.py # examples/plot_isf.py # examples/plot_spatialisf.py # examples/plot_temperature.py # src/mdevaluate/cli.py # src/mdevaluate/correlation.py # src/mdevaluate/distribution.py # src/mdevaluate/functions.py # test/test_atoms.py
34 lines
916 B
Python
34 lines
916 B
Python
from copy import copy
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import pytest
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import numpy as np
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from mdevaluate import utils
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@pytest.fixture
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def logdata(request):
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xdata = np.logspace(-1, 3, 50)
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ydata = np.exp(-((xdata) ** 0.7))
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return xdata, ydata
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def test_filon_fourier_transformation(logdata):
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xdata, ydata = logdata
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xdata_zero = copy(xdata)
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xdata_zero[0] = 0
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_, filon = utils.filon_fourier_transformation(xdata_zero, ydata)
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assert not np.isnan(filon).any(), "There are NaN values in the filon result!"
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freqs = np.logspace(-4, 1)
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filon_freqs, filon_imag = utils.filon_fourier_transformation(
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xdata, xdata, frequencies=freqs, derivative="linear", imag=True
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)
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assert (freqs == filon_freqs).all()
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freqs, filon_real = utils.filon_fourier_transformation(
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xdata, xdata, frequencies=freqs, derivative="linear", imag=False
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)
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assert np.isclose(filon_imag.real, filon_real).all()
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