forked from enviPath/enviPy
[Feature] Minimal IUCLID export (#338)
This is an initial implementation that creates a working minimal .i6z document. It passes schema validation and can be imported into IUCLID. Caveat: IUCLID files target individual compounds. Pathway is not actually covered by the format. It can be added in either soil or water and soil OECD endpoints. **I currently only implemented the soil endpoint for all data.** This sort of works, and I can report all degradation products in a pathway (not a nice view, but we can report many transformation products and add a diagram attachment in the future). Adding additional information is an absolute pain, as we need to explicitly map each type of information to the relevant OECD field. I use the XSD scheme for validation, but unfortunately the IUCLID parser is not fully compliant and requires a specific order, etc. The workflow is: finding the AI structure from the XSD scheme -> make the scheme validation pass -> upload to IUCLID to get obscure error messages -> guess what could be wrong -> repeat 💣 New specifications get released once per year, so we will have to update accordingly. I believe that this should be a more expensive feature, as it requires significant effort to uphold. Currently implemented for root compound only in SOIL: - Soil Texture 2 - Soil Texture 1 - pH value - Half-life per soil sample / scenario (mapped to disappearance; not sure about that). - CEC - Organic Matter (only Carbon) - Moisture content - Humidity <img width="2123" alt="image.png" src="attachments/d29830e1-65ef-4136-8939-1825e0959c62"> <img width="2124" alt="image.png" src="attachments/ac9de2ac-bf68-4ba4-b40b-82f810a9de93"> <img width="2139" alt="image.png" src="attachments/5674c7e6-865e-420e-974a-6b825b331e6c"> Reviewed-on: enviPath/enviPy#338 Co-authored-by: Tobias O <tobias.olenyi@envipath.com> Co-committed-by: Tobias O <tobias.olenyi@envipath.com>
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@ -31,6 +31,8 @@ dependencies = [
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"setuptools>=80.8.0",
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"nh3==0.3.2",
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"polars==1.35.1",
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"xmlschema>=3.0.0",
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]
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[tool.uv.sources]
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@ -139,6 +141,7 @@ collectstatic = { cmd = "uv run python manage.py collectstatic --noinput", help
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frontend-test-setup = { cmd = "playwright install", help = "Install the browsers required for frontend testing" }
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[tool.pytest.ini_options]
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DJANGO_SETTINGS_MODULE = "envipath.settings"
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addopts = "--verbose --capture=no --durations=10"
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testpaths = ["tests", "*/tests"]
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pythonpath = ["."]
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@ -155,4 +158,5 @@ markers = [
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"frontend: Frontend tests",
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"end2end: End-to-end tests",
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"slow: Slow tests",
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"iuclid: IUCLID i6z export tests",
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]
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