search

choderalab / software-development

A primer on software development best practices for computational chemistry
255 stars 76 forks source link

Added a reference for examples on testing MCMC code #33

Closed gregoryross closed 7 years ago

gregoryross commented 7 years ago

@ChayaSt found a very good reference for testing MCMC code with unit tests and more rigorous procedures. I think it's very relevent here.

In the future, we could also lift one of the examples (appropriately cited, of course) so that our guide is more self contained.

jchodera commented 7 years ago

Perhaps we can make more of a separation between testing deterministic code and testing stochastic code? We can fill in more detail later, but it would be good to at least build in that distinction (as subsections or something).

gregoryross commented 7 years ago

Good point, having separate sections for deterministic and stochastic code would be informative.

jchodera commented 7 years ago

Good point, having separate sections for deterministic and stochastic code would be informative.

Will do this later!