CADET-Match Examples

Generating Examples and running them

CADET-Match can generate a complete set of examples and run them. This can be used to verify that all features used in CADET-Match are working correctly on your installation and to see how to run CADET-Match in various situations. The examples include variable transforms, search strategies, and search stratgies. Depending on the hardware available running the complete set of examples can hours to days.

Generate examples

The examples can be generated in any directory you need and only the path to the directory and path to the version of CADET you want to use needs to be supplied. You can have multiple example directories that are run with different versions of CADET to verify a new installation is working correctly.

The examples generated can all be run individually and the files used as a template to make your own matches. There are examples for every feature in CADET-Match.

python -m CADETMatch --generate_examples <example directory> --cadet_examples <path to cadet binary or library>

--example_population <integer> can be added to set the population per parameter

--example_mcmc_population <integer> can be added to set the MCMC population

Run examples

This will run all the examples and could take hours to days to run depending on the available computing power. It is not recommended to run this on a laptop.

python -m CADETMatch --run_examples <example directory>

Clean examples

This command will clean all the results from the examples and return them to a clean state so that the examples can be run again. This is especially useful if there is a problem with the CADET install and it needed to be rebuilt.

python -m CADETMatch --clean_examples <example directory>

Results examples

This command processes all of the run examples and creates a text report of the best matches from every test.

python -m CADETMatch --results_examples <example directory>