subway_maps

Documentation for using the RouteScore/subway maps project code.

To reset and run everything from scratch (including making figures):

• Run run_everything.py

To reset the files to a clean state:

• Run reset_all.py

To run all the RouteScore calculations for the laser molecules:

• Run full_routine.py

To make all figures from scratch:

• Run all_figs.py

A few notes:

• routescore.py is used to calculate RouteScore, but must be called from another file and receive information about the route and molecules from that file.
• RouteScores are calculated from a RS_xxx.py file.
• To understand how a RouteScore is calculated, follow the comments in RS_Base.py. The process is very similar for all other route types.
• There is also an example that you can follow in the Example_calc.ipynb Jupyter notebook.