-
Notifications
You must be signed in to change notification settings - Fork 19
Closed
Milestone
Description
Suppose I have two importers: "from file" and "SMILES":
If I do the following:
- Create a molecule from SMILES
C=C, I will obtain the correctC2H4molecule - After that, I import the
file.xyz, and the molecule will be correctly replaced by the uploaded structure. - Then, switching back to SMILES and pressing "Generate molecule" will do nothing because the SMILES string is unchanged.
- Modifying the SMILES string to another value (
Cfor instance) correctly provides a new molecule. - Additionally, if I go back to "Import from computer" and re-import the same
file. xyz, it will do nothing again. If I import a different file, it will work.
It seems to be related to the traits notification problem. Since the trait somehow keeps the same value it does not notifies the structure update.
Additional observation.
For an unknown reason the information about the change of the structure trait of an importer doesn't go to the input_structure of the manager, even though it should:
| dlink((importer, "structure"), (self, "input_structure")) |
Metadata
Metadata
Assignees
Labels
No labels