Merge branch 'mdeval_dev'

# 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
This commit is contained in:
2024-01-16 16:54:54 +01:00
49 changed files with 2231 additions and 3310 deletions

View File

@ -31,16 +31,3 @@ def test_filon_fourier_transformation(logdata):
xdata, xdata, frequencies=freqs, derivative="linear", imag=False
)
assert np.isclose(filon_imag.real, filon_real).all()
def test_histogram():
data = np.random.rand(100)
bins = np.linspace(0, 1)
np_hist = np.histogram(data, bins=bins)[0]
ut_hist = utils.histogram(data, bins=bins)[0]
assert (np_hist == ut_hist).all()
bins = np.linspace(0.3, 1.5)
np_hist = np.histogram(data, bins=bins)[0]
ut_hist = utils.histogram(data, bins=bins)[0]
assert (np_hist == ut_hist).all()