This is an issue with the ligpargen web interface.
Expected Behavior
Some warning or error when both a smiles string and file are selected for upload. This can happen if a user hits the back button after submitting a file, then puts in a smiles string ie,
file upload -> generate -> back button -> smiles -> generate
Actual Behavior
The selected file is cleared on hitting the back button in a browser or some sort of warning/error if a user manages to have both a file uploaded and a smiles string.
This is pretty nit-picky but something I noticed when I was generating OPLS parameters using smiles and pdb files and using the back button. It does use the most recent user input so its not too bad, but I was a bit confused when I was trying to remember what I used to generate some OPLS parameters and saw both a file uploaded and a smiles string.
Issue Information
This is an issue with the ligpargen web interface.
Expected Behavior
Some warning or error when both a smiles string and file are selected for upload. This can happen if a user hits the back button after submitting a file, then puts in a smiles string ie, file upload -> generate -> back button -> smiles -> generate
Actual Behavior
The selected file is cleared on hitting the back button in a browser or some sort of warning/error if a user manages to have both a file uploaded and a smiles string.
This is pretty nit-picky but something I noticed when I was generating OPLS parameters using smiles and pdb files and using the back button. It does use the most recent user input so its not too bad, but I was a bit confused when I was trying to remember what I used to generate some OPLS parameters and saw both a file uploaded and a smiles string.