internal_ions

Setup

• Requirements: python 3.12+!
• Packages: pip install -r requirements.txt
• Packages (alternative, exact version numbers): pip install -r env.txt

Development Notes

• Implement plot functions in util/tab* either in the example_plot.py script in there or preferably write your own plotting function in a seperate script and throw it in the folder (to avoid merge conflicts).
• Frontend functions should be implemented directly in tab*.py.
• Frontend functions that are used accross several tabs go into utils.
• Getting data from other tabs: Access via st.session_state (examples given) in the tab*.py scripts.

Example Data

• Can be found in data
• For plotting we use fragment_centric.csv, spectrum_centric.csv (and optionally result.json).

Running the App

• Install requirements!
• Run streamlit run streamlit_app.py

Running the App via Docker

• Running this app via Docker is possible with:
  • docker build . -f Dockerfile -t internalions
  • docker run -p 8501:8501 internalions

Server

• Online