Project structure

Project has four sub-folders inside Databank/Scripts:

DatabankLib

Main project package. Contains most of the project’s logic and API.

More info on DatabankLib

AnalyzeDatabank

Scripts that perform analysis of the entire databank.

More info on AnalyzeDatabank

BuildDatabank

Scripts related to adding new simulations into the databank.

More info on BuildDatabank

updateGUI

Functionality for updating the GUI of the NMRLipids Databank.

More info on updateGUI

tests

Pytest-based unit and regression tests.

More info on tests

Repository folder structure