RIMS Scheme Drawer and Website

Reto Trappitsch
February 8, 2024

Goal of the RIMS Scheme Drawer

• GUI to easily create a graphical representation of a RIMS scheme
• Produce a figure that can be published without further editing
• Allow for common formatting changes
• Save / load config files for future editing, corrections, ...

What it looks like

And what's the output?

• Two vertical axes
  • Wavenumber (cm)
  • Energy (eV)
• Optional title (not shown here)
• Transitions colored according to wavelength
  • Purple: Third harmonic
  • Blue: Second harmonic
  • Red: Fundamental
• Levels, states, ...

Behind the scenes

• Written in python
• Plotting is done completely with matplotlib
• GUI is built with qtpy (PyQt or PySide)

Limitations with the current stable version (v2.1.4)

• GUI and plotting are not separated
• Only available as installer for easy use
• Code base is messy

A first look at v3.0

• This version can already be installed via pipx (or pip if you prefer)

  pipx install rimsschemedrawer
  

• The exectable script to start the GUI is rimsschemedrawer

What's new in v3.0.0.dev0?

• GUI and plotting are separated
• Code base is cleaned up
• Backwards compatible

What's next?

• Clean-up of code base
• GUI release with PyApp for standalone app

Future of the RIMS scheme website

My ideas and proofs-of-concept...

Overview

• Source code for website hosted in GitHub
• Website is built with mkdocs and custom python scripts whenever new content is merged into main branch
• Website is deployed on GitHub Pages

RIMS Schemes

• Scheme entries are stored in the repository as json files
• Individual websites for schemes and linking of periodic table is automatically done in python

How the website works (mostly in my mind so far...)

Some proofs-of-concept

• Website demo

  • Scheme pages are automatically generated
  • Applets, displayed in-frame, are hosted on streamlit.io

• Website repo and GH Actions workflow

  • Create periodic table
  • Link all (so far empty) scheme files in the db folder

• POC GitHub Workflow from issue

  • Print every other line to the console (inside GitHub Actions)

What's next?

1. Define what goes into a scheme page
   • Scheme itself (table and figure)
   • Saturation curves
   • Notes
   • References
   • ...?
2. Define a format in which schemes are stored
3. Write the python routines to autogenerate the websites
4. Define a GitHub issue template for user submissions
5. Python parser to create scheme files from user submissions
6. Write a GitHub Action to create PR from user submission