epam / epam/Indigo

Query atom properties disappear from the structure after saving in Daylight and Extended SMILES-format.

Open
#3,887 4 comments 0 reactions 1 assignee Claimed by @AndreiMazol View on GitHub
Dominant language
C++
Stars
406
Forks
134
Avg merge
2d 11h
Merged PRs (30d)
24

Description

**Steps to reproduce:**

1. Launch Editor.
2. Create any structure, for example, chain.
3. Double click any structure atom.
4. In the open "Atom properties" window select any query atom property, click OK.
5. Repeat previous step with another atom and another query atom property.
6. Click "Save as..." button.
7. Select Dayligt SMILE format. Click "Save to file".
8. Click "Save as..." button.
9. Select Extended SMILE format. Click "Save to file".
10. Clear the canvas.
11. Open saved at 5 and 7 steps structures one by one.

**Actual result:**
The query atom properties disappear from the structure.
In Extended smile format "H count" is replaced with double radical

**Expected result:**
The added atom properties stay at the structure.

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