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d29cebfa0c8d7fd3421cd1c02eaf9f0ab7271323
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15 Commits
Author SHA1 Message Date
Tim Lorsbach d29cebfa0c ...
CI / test (pull_request) Failing after 18s
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API CI / api-tests (pull_request) Failing after 35s
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2026-06-21 21:23:15 +02:00
jebusandTim Lorsbach 2502c020f7 [Fix] Collection of minor Bugfixes (#417) 
User feedback from on-prem installation

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#417
 2026-06-17 07:56:32 +12:00
jebusandTim Lorsbach b737fc93eb [Feature] Search for Permissions, Prep Compound / Structure to be extended, Prep Template overwrites (#347) 
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#347
 2026-03-11 11:27:15 +13:00
jebusandTim Lorsbach c6ff97694d [Feature] PEPPER in enviPath (#332) 
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#332
 2026-03-06 22:11:22 +13:00
jebusandTim Lorsbach 54f8302104 [FIX] Fixed Search Output, Legacy API Model Endpoint, Handle ObjectsDoesNotExists in views (#297) 
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#297
 2026-01-15 20:39:54 +13:00
liambrydonandTim Lorsbach 901de4640c [Fix] Stereochemistry prediction handling (#228 and #238) (#250) 
**This pull request will need a separate migration pull-request**

I have added an alert box in two places when the user tries to predict with stereo chemistry.

When a user predicts a pathway with stereo chemistry an alert box is shown in that node's hover.
To do this I added two new fields. Pathway now has a "predicted" BooleanField indicating whether it was predicted or not. It is set to True if the pathway mode for prediction is "predict" or "incremental" and False if it is "build". I think it is a flag that could be useful in the future, perhaps for analysing how many predicted pathways are in enviPath?
Node now has a `stereo_removed` BooleanField which is set to True if the Node's parent Pathways has "predicted" as true and the node SMILES has stereochemistry.
<img width="500" alt="{927AC9FF-DBC9-4A19-9E6E-0EDD3B08C7AC}.png" src="attachments/69ea29bc-c2d2-4cd2-8e98-aae5c5737f69">

When a user does a prediction on a model's page it shows at the top of the list. This did not require any new fields as the entered SMILES does not get saved anywhere.
<img width="500" alt="{BED66F12-5F07-419E-AAA6-FE1FE5B4F266}.png" src="attachments/5fcc3a9b-4d1a-4e48-acac-76b7571f6507">

I think the alert box is an alright solution but if you have a great idea for something that looks/fits better please change it or let me know.

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#250
Co-authored-by: Liam Brydon <lbry121@aucklanduni.ac.nz>
Co-committed-by: Liam Brydon <lbry121@aucklanduni.ac.nz>
 2025-12-03 10:19:34 +13:00
jebusandTim Lorsbach 1cccefa991 [Feature] Basic Test Workflow (#186) 
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#186
Reviewed-by: liambrydon <lbry121@aucklanduni.ac.nz>
Reviewed-by: Tobias O <tobias.olenyi@envipath.com>
 2025-11-11 21:07:25 +13:00
jebusandTim Lorsbach 7ad4112343 [Feature] External Identifier/References 
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#139
 2025-10-02 00:40:00 +13:00
jebusandTim Lorsbach b757a07f91 [Misc] Performance improvements, SMIRKS Coverage, Minor Bugfixes (#132) 
Bump Python Version to 3.12
Make use of "epauth" optional
Cache `srs` property of rules to speed up apply
Adjust view names for use of `reverse()`
Fix Views for Scenario Attachments
Added Simply Compare View/Template to identify differences between rdkit and ambit
Make migrations consistent with tests + compare
Fixes #76
Set default year for Scenario Modal
Fix html tags for package description
Added Tests for Pathway / Rule
Added remove stereo for apply

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#132
 2025-09-26 19:33:03 +12:00
jebusandTim Lorsbach b5c759d74e [Feature] Register / Login / Logout View Testing (#126) 
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#126
 2025-09-19 06:44:25 +12:00
jebusandTim Lorsbach 50db2fb372 [Feature] MultiGen Eval (Backend) (#117) 
Fixes #16

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#117
 2025-09-18 18:40:45 +12:00
jebusandTim Lorsbach 762a6b7baf [Feature] Package Export/Import (#116) 
Fixes #90
Fixes #91
Fixes #115
Fixes #104

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#116
 2025-09-16 02:41:10 +12:00
jebusandTim Lorsbach 3308d47071 Fix bond breaking (#46) 
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#46
 2025-08-15 09:06:07 +12:00
jebusandTim Lorsbach 844d0708c9 Granting/Updating Permission for Packages (#2) 
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#2
 2025-06-25 08:49:58 +12:00
Tim Lorsbach ded50edaa2 Current Dev State 2025-06-23 20:13:54 +02:00