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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epiuclid/tests/test_iuclid_export.py
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86
epiuclid/tests/test_iuclid_export.py
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"""
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Tests for the IUCLID projection layer.
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"""
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from django.test import TestCase, tag
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from envipy_additional_information.information import Temperature
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from epdb.logic import PackageManager, UserManager
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from epdb.models import AdditionalInformation, Pathway, Scenario
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from epapi.v1.interfaces.iuclid.projections import get_pathway_for_iuclid_export
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@tag("api", "iuclid")
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class IUCLIDExportScenarioAITests(TestCase):
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"""Test that scenario additional information is correctly reflected in the IUCLID export."""
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@classmethod
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def setUpTestData(cls):
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cls.user = UserManager.create_user(
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"iuclid-test-user",
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"iuclid-test@envipath.com",
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"SuperSafe",
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set_setting=False,
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add_to_group=False,
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is_active=True,
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)
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cls.package = PackageManager.create_package(
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cls.user, "IUCLID Test Package", "Package for IUCLID export tests"
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)
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cls.pathway = Pathway.create(cls.package, "CCO", name="Test Pathway")
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cls.root_node = cls.pathway.node_set.get(depth=0)
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cls.compound = cls.root_node.default_node_label.compound
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cls.scenario = Scenario.objects.create(
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package=cls.package,
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name="Test Scenario",
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scenario_type="biodegradation",
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scenario_date="2024-01-01",
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)
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cls.root_node.scenarios.add(cls.scenario)
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def test_scenario_with_no_ai_exports_without_error(self):
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"""Scenario attached to a node but with no AI must export cleanly with empty lists.
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Regression: previously scenario.parent was accessed here, causing AttributeError.
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"""
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result = get_pathway_for_iuclid_export(self.user, self.pathway.uuid)
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self.assertEqual(len(result.nodes), 1)
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node = result.nodes[0]
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self.assertEqual(len(node.scenarios), 1)
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self.assertEqual(node.scenarios[0].scenario_uuid, self.scenario.uuid)
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self.assertEqual(node.scenarios[0].additional_info, [])
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self.assertEqual(node.additional_info, [])
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def test_direct_scenario_ai_appears_in_export(self):
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"""AI added directly to a scenario (no object binding) must appear in the export DTO."""
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ai = Temperature(interval={"start": 20, "end": 25})
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AdditionalInformation.create(self.package, ai, scenario=self.scenario)
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result = get_pathway_for_iuclid_export(self.user, self.pathway.uuid)
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node = result.nodes[0]
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self.assertEqual(len(node.scenarios), 1)
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scenario_dto = node.scenarios[0]
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self.assertEqual(len(scenario_dto.additional_info), 1)
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# The same AI must roll up to the node level
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self.assertEqual(len(node.additional_info), 1)
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self.assertEqual(node.additional_info[0], scenario_dto.additional_info[0])
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def test_object_bound_ai_excluded_from_scenario_direct_info(self):
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"""AI bound to a specific object (object_id set) must not appear in direct scenario info.
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get_additional_information(direct_only=True) filters object_id__isnull=False.
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"""
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ai = Temperature(interval={"start": 10, "end": 15})
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AdditionalInformation.create(
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self.package, ai, scenario=self.scenario, content_object=self.compound
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)
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result = get_pathway_for_iuclid_export(self.user, self.pathway.uuid)
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node = result.nodes[0]
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scenario_dto = node.scenarios[0]
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self.assertEqual(scenario_dto.additional_info, [])
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self.assertEqual(node.additional_info, [])
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