Files Overview

The MDAKit cookiecutter generated a large number of files, which can be daunting. However, many do no require editing or input from you, or are only required to make use of optional features.

The table below provides a summart of the generated files, (this links to the relevant sections of documentation), and an indication of if the file is “required” or likely to require modification.

Is this file ‘required’?

There are several ways one could consider defining a ‘required file’. The table below uses the follow classifications:

• YES - files that are central to your Python package being a Python package

• REGISTRATION REQUIREMENT - files that are not required for the package to work, but are required if you wish to register your MDAKit on the Registry

• RECOMMENDED - files that provide additional options not required for MDAKit registration, but that are still recommended for a good software package. Some of these are required in order for certain (optional) features to work; these are noted

• OPTIONAL - other files that may still be useful

• NO - files that are included only for illustative purposes or to guide you (the developer)

Will I need to modify this file?

• YES - files that (if you keep) you’ll have to change

• PROJECT DEPENDENT - files that will need to be modified in some, but not all cases

• OPTIONAL - files that you can opt to edit to e.g. replace default selections or add additional customisation

• NO - files where it’s unlikely you’ll need to change any options, or that you shouldn’t touch at all (unless you know what you’re doing)