Source code for est.tests.larch.test_xftf
import pytest
from est.core.types import XASObject
try:
import larch
except ImportError:
larch = None
else:
from est.core.process.larch.xftf import larch_xftf, process_spectr_xftf
from est.core.process.larch.autobk import process_spectr_autobk
[docs]
@pytest.mark.skipif(larch is None, reason="xraylarch not installed")
def test_single_spectrum(spectrum_cu_from_larch):
"""Make sure computation on one spectrum is valid"""
configuration = {
"window": "hanning",
"kweight": 2,
"kmin": 3,
"kmax": 13,
"dk": 1,
}
# for xftf we need to compute pre edge before
process_spectr_autobk(spectrum_cu_from_larch, configuration={}, overwrite=True)
assert hasattr(spectrum_cu_from_larch, "k")
assert hasattr(spectrum_cu_from_larch, "chi")
process_spectr_xftf(spectrum_cu_from_larch, configuration, overwrite=True)
assert hasattr(spectrum_cu_from_larch, "chir_re")
assert hasattr(spectrum_cu_from_larch, "chir_im")
assert hasattr(spectrum_cu_from_larch, "chir")
assert hasattr(spectrum_cu_from_larch, "chir_mag")
[docs]
@pytest.fixture()
def xas_object(spectrum_cu_from_larch):
configuration = {"z": 29}
process_spectr_autobk(spectrum_cu_from_larch, configuration={}, overwrite=True)
xas_object = XASObject(
spectra=(spectrum_cu_from_larch,),
energy=spectrum_cu_from_larch.energy,
dim1=1,
dim2=1,
configuration=configuration,
)
# for xftf we need to compute pre edge before
spectrum = xas_object.spectra.data.flat[0]
assert hasattr(spectrum, "k")
assert hasattr(spectrum, "chi")
return xas_object
[docs]
@pytest.mark.skipif(larch is None, reason="xraylarch not installed")
def test_multiple_spectra(xas_object):
"""Make sure computation on spectra is valid (n spectrum)"""
res = larch_xftf(xas_object)
assert isinstance(res, XASObject)
spectrum = res.spectra.data.flat[0]
assert hasattr(spectrum, "chir_re")
assert hasattr(spectrum, "chir_im")
assert hasattr(spectrum, "chir")
assert hasattr(spectrum, "chir_mag")
[docs]
@pytest.mark.skipif(larch is None, reason="xraylarch not installed")
def test_multiple_spectra_asdict(xas_object):
"""Make sure computation on spectra is valid (n spectrum)"""
res = larch_xftf(xas_object.to_dict())
assert isinstance(res, XASObject)
spectrum = res.spectra.data.flat[0]
assert hasattr(spectrum, "chir_re")
assert hasattr(spectrum, "chir_im")
assert hasattr(spectrum, "chir")
assert hasattr(spectrum, "chir_mag")