You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Try to save canvas to Daylight SMARTS (same for SMILES)
Go to Warnings tab
Actual behavior
Warning tab doesn't contain any warning that current format doesn't support s-groups and attachment points so
In Daylight SMARTS the structure will be saved without S-groups
In Daylight SMARTS the structure will be saved without attachment points.
Expected behavior
Warning tab contains warnings:
In Daylight SMARTS the structure will be saved without S-groups
In Daylight SMARTS the structure will be saved without attachment points.
Same problem for Daylight SMILES - no warning that In Daylight SMARTS the structure will be saved without attachment points.
Same problem for InChl - no warning that In InChl the structure will be saved without attachment points.
Same problem for InChl AuxInfo - no warning that In InChl AuxInfo the structure will be saved without attachment points.
Same problem for InChlKey - no warning that In InChlKey the structure will be saved without attachment points.
Should we support save to:
We support all formats that support s-groups and attachment points
If no - just got it lost in save file + warning in save dialog
Versions:
Indigo Toolkit Version 1.21.0-rc.1.0-g9194599b2-wasm32-wasm-clang-19.0.0
Ketcher Version 2.22.0-rc.2 Build at 2024-06-03; 18:43:00
Chrome Version 125.0.6422.142 (Official Build) (64-bit)
AlexeyGirin
changed the title
Important warnings are missed if we try to save molecule with attachment points to Daylight SMARTS
Important warnings are missed if we try to save molecule with attachment points to Daylight SMARTS/SMILES
Jun 6, 2024
Steps to Reproduce
OR manually create following configuration on the canvas:
Actual behavior

Warning tab doesn't contain any warning that current format doesn't support s-groups and attachment points so
In Daylight SMARTS the structure will be saved without S-groups
In Daylight SMARTS the structure will be saved without attachment points.
Expected behavior

Warning tab contains warnings:
In Daylight SMARTS the structure will be saved without S-groups
In Daylight SMARTS the structure will be saved without attachment points.
Same problem for Daylight SMILES - no warning that In Daylight SMARTS the structure will be saved without attachment points.
Same problem for InChl - no warning that In InChl the structure will be saved without attachment points.
Same problem for InChl AuxInfo - no warning that In InChl AuxInfo the structure will be saved without attachment points.
Same problem for InChlKey - no warning that In InChlKey the structure will be saved without attachment points.
As per requirements:
Versions:
Issue found while testing #4530
The text was updated successfully, but these errors were encountered: