essdiffraction/tests/diffraction/test_peaks.py at 73769bf6e1c3d2fdf4488c316db8b6fd4416944f · scipp/essdiffraction · GitHub

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
import urllib.request

import pytest
import scipp as sc

from ess.diffraction.peaks import dspacing_peaks_from_cif


def _cifdb_is_reachable(timeout=5):
    try:
        req = urllib.request.Request('http://cod.ibt.lt', method="HEAD")
        with urllib.request.urlopen(req, timeout=timeout):  # noqa: S310
            return True
    except Exception:
        return False


@pytest.mark.skipif(
    not _cifdb_is_reachable(), reason='The CIF database can not be reached.'
)
def test_retreived_peak_list_has_expected_units():
    d = dspacing_peaks_from_cif(
        'codid::9011998',
        sc.scalar(50, unit='barn'),
    )
    assert d.coords['dspacing'].unit == 'angstrom'
    assert d.unit == 'barn'


@pytest.mark.skipif(
    not _cifdb_is_reachable(), reason='The CIF database can not be reached.'
)
def test_intensity_threshold_is_taken_into_account():
    d = dspacing_peaks_from_cif(
        'codid::9011998',
        sc.scalar(50, unit='barn'),
    )
    assert len(d) > 0

    d = dspacing_peaks_from_cif(
        'codid::9011998',
        sc.scalar(50, unit='Mbarn'),
    )
    assert len(d) == 0


@pytest.mark.skipif(
    not _cifdb_is_reachable(), reason='The CIF database can not be reached.'
)
def test_retreived_peak_list_with_temperature_kwarg():
    d = dspacing_peaks_from_cif(
        'codid::9011998', sc.scalar(50, unit='barn'), uiso_temperature=300
    )
    assert d.coords['uiso_temperature'] == 300