Source code for est.tests.test_write

import pytest

from ..core.types.xasobject import XASObject

try:
    import larch
except ImportError:
    larch = None
else:
    from ..core.process.larch.pre_edge import Larch_pre_edge

from .hdf5 import assert_hdf5_content




@pytest.mark.skipif(larch is None, reason="larch is not installed")
def test_write(spectrum_cu_from_larch, tmp_path):
    xas_obj = XASObject(
        spectra=(spectrum_cu_from_larch,), energy=spectrum_cu_from_larch.energy
    )

    assert spectrum_cu_from_larch.pre_edge is None
    assert spectrum_cu_from_larch.e0 is None
    process = Larch_pre_edge(inputs={"xas_obj": xas_obj, "pre_edge_config": {}})
    process.run()
    assert spectrum_cu_from_larch.pre_edge is not None
    assert spectrum_cu_from_larch.e0 is not None

    output_file = tmp_path / "output.h5"
    urls = xas_obj.to_file(output_file)
    assert output_file.exists()
    assert urls == [f"{output_file}?/1.1"]

    expected = {
        "data": {
            "data@NX_class": "NXdata",
            "data@auxiliary_signals": ["pre_edge", "post_edge"],
            "data@axes": ["energy"],
            "data@signal": "mu",
            "energy": {
                "energy@long_name": "Energy (eV)",
                "energy@units": "eV",
            },
            "mu": {"mu@long_name": "μ"},
            "post_edge": {},
            "pre_edge": {},
        },
        "results": {
            "results@NX_class": "NXprocess",
            "date": {},
            "program": {},
            "normalized": {
                "energy": {
                    "energy@long_name": "Energy (eV)",
                    "energy@units": "eV",
                },
                "flatten_mu": {"flatten_mu@long_name": "Flat(μ)"},
                "normalized@NX_class": "NXdata",
                "normalized@auxiliary_signals": ["normalized_mu"],
                "normalized@axes": ["energy"],
                "normalized@signal": "flatten_mu",
                "normalized_mu": {"normalized_mu@long_name": "Norm(μ)"},
            },
            "statistics": {
                "e0": {
                    "e0@long_name": "Edge Energy (eV)",
                    "e0@units": "eV",
                },
                "edge_step": {},
                "statistics@NX_class": "NXparameters",
            },
        },
    }
    assert_hdf5_content(output_file, expected, 1)