ketcher generate wrong *.ket format while processing reactants and catalysts
- Dominant language
- C++
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- 406
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- 134
- Avg merge
- 2d 11h
- Merged PRs (30d)
- 24
Description
wrong number of reactants and catalysts
.ket file from ketcher 2.5
python indigo 1.83
```python
from indigo import Indigo
indigo_ins = Indigo()
r = indigo_ins.loadReactionFromFile(r"D:\reaction.ket")
reactants = r.iterateReactants()
for reactant in reactants:
print(reactant.smiles())
if __name__ == '__main__':
pass
```
Output:
```python
C1CCCCCCC1
CC(=O)[O-]
[Na+]
```
Expected:
```python
C1CCCCCCC1
CC(=O)[O-].[Na+]
```

Contributor guide
No contributing guide indexed for this repository
Research direction
Start with the reaction.ket example and the Python entry points loadReactionFromFile and iterateReactants. Reproduce the output with Indigo 1.83, then trace how reactants and catalysts are separated; done means the sodium ion remains grouped with the acetate as shown in the expected output.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- tooling
- Issue type
- Bug
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 30/100