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[Feature] Minimal IUCLID export (#338)

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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>
This commit is contained in:
Tobias O
2026-04-07 19:46:12 +12:00
committed by jebus
parent f7c45b8015
commit d06bd0d4fd
49 changed files with 66402 additions and 1014 deletions
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39
epiuclid/schemas/v10/platform-modification-history.xsd Normal file
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<?xml version="1.0" encoding="UTF-8"?>
<xs:schema xmlns="http://iuclid6.echa.europa.eu/namespaces/platform-modification-history/v1"
xmlns:xs="http://www.w3.org/2001/XMLSchema"
targetNamespace="http://iuclid6.echa.europa.eu/namespaces/platform-modification-history/v1"
elementFormDefault="qualified" attributeFormDefault="qualified">
<xs:annotation>
<xs:appinfo>XML Schema Definition of the "ModificationHistory" section</xs:appinfo>
<xs:documentation>This section lists the entries of the document's modification history. Every entry is a single operation that took place on the specific document and specifies the date of the action, the user that run the action, the submitting legal entity of the user and the modification remarks if any</xs:documentation>
</xs:annotation>
<xs:element name="Modification">
<xs:annotation>
<xs:documentation>Holds the information concerning the document's modification. Every entry is a single operation that took place on the specific document and specifies the date of the action, the user that run the action, the submitting legal entity of the user and the modification remarks if any</xs:documentation>
</xs:annotation>
<xs:complexType>
<xs:all>
<xs:element name="Date" type="xs:dateTime">
<xs:annotation>
<xs:documentation>The date the action was performed on the document</xs:documentation>
</xs:annotation>
</xs:element>
<xs:element name="Author" type="xs:string">
<xs:annotation>
<xs:documentation>The userName of the user that performed the modification</xs:documentation>
</xs:annotation>
</xs:element>
<xs:element name="LegalEntity" type="xs:string" minOccurs="0">
<xs:annotation>
<xs:documentation>The description of the submitting legal entity of the user. This information contains the concatenated value of the LE name, city and localized country information</xs:documentation>
</xs:annotation>
</xs:element>
<xs:element name="Remarks" type="xs:string" minOccurs="0">
<xs:annotation>
<xs:documentation>The modification comment</xs:documentation>
</xs:annotation>
</xs:element>
</xs:all>
</xs:complexType>
</xs:element>
</xs:schema>