Initial bayer app
Show Pack Classification
Adjusted docker compose to bayer specifics
Adjusted Dockerfile for Bayer
Adding secret flags to group, add secret pools to packages
Adjusted View for Package creation
Prep configs, added Package Create Modal
wip
More on PES
wip
wip
Wip
minor
PW interactions
API PES
wip
Make Select Widget reflect required
make required generallay available
Update UI if pathway mode is set to build
Added ais
circle adjustments
Initial Zoom, fix AD Creation
wip
auth log, bb4g fix
missing import
Added viz hint if PES is part of reaction
Add Edge check for pes
flip boolean
...
pes
Added extra
...
In / Out Edges Viz, Submitting Button Text
...
Make PES Link clickable
Return proper http response instead of error
Fixed error return, removed unused options
Fix PES Link HTML for other entities
Fixed molfile assignment, adjusted Export
Package Export/Import cycle
highlight Description links
implemented non persistent
Harmonised proposed field in Json output
Added pesLink field to PW Api output
PES Fields in API Output
removed debug
Fix Classification import, Fix PES Deserialization
underline pes link in templates
Fix alter name/desc for node, make /node /edge funcitonal
provide setting link and copy button
Implemented Compound Names / Reaction Names View Option
Unconnected Nodes
Make links thicker, reduce timeout trigger time
Show proposed info in popover
Pathway Build no stereo removal
Include probs in reaction name option viz
Detect clicks outside nodes/edges
Provide proper Error Pages
View Package Perm
wip
sync
Auth log
auth log leftovers
...
secret packs viz
auth log for api
model stats
Fix Package Adjustment
Adjust Group Auth Log
Fix Secret image size in Navbar
leftover
...
minor
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>
