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A solution for research data management

Project description

The CADET-Research Data Management toolbox

Getting started

Installation

CADET-RDM can be installed using

pip install cadet-rdm

Initialize Project Repository

Create a new project repository or convert an existing repository into a CADET-RDM repo:

cadet-rdm initialize-repo <path-to-repo>

or from python

from cadetrdm import initialize_repo
initialize_repo(path_to_repo)

The output_folder_name can be given optionally. It defaults to output.

Use CADET-RDM in Python

Tracking Results

from cadetrdm import ProjectRepo

"""
Your imports and function declarations
e.g. generate_data(), write_data_to_file(), analyse_data() and plot_analysis_results()
"""

if __name__ == '__main__':
    # Instantiate CADET-RDM ProjectRepo handler
    repo = ProjectRepo()

    # If you've made changes to the code, commit the changes
    repo.commit("Add code to generate and analyse example data")

    # Everything written to the output_folder within this context manager gets tracked
    # The method repo.output_data() generates full paths to within your output_folder
    with repo.track_results(results_commit_message="Generate and analyse example data"):
        data = generate_data()
        output_filepath = repo.output_data(sub_path="raw_data/data.csv")
        write_data_to_file(data, output_filepath)

        analysis_results = analyse_data(data)
        figure_path=repo.output_data("analysis/regression.png")
        plot_analysis_results(analysis_results, figure_path)

Sharing Results

To share your project code and results with others, you need to create remote repositories on e.g. GitHub or GitLab. You need to create a remote for both the project repo and the results repo.

Once created, the remotes need to be added to the local repositories.

cadet-rdm add-remote-to-repo <path_to_repo> git@<my_git_server.foo>:<project>.git
cadet-rdm add-remote-to-repo <path_to_repo/output_folder> git@<my_git_server.foo>:<project>_output.git

or in Python:

repo = ProjectRepo()
repo.add_remote("git@<my_git_server.foo>:<project>.git")
repo.output_repo.add_remote("git@<my_git_server.foo>:<project>_output.git")

Once remotes are configured, you can push all changes to the project repo and the results repos with the command

# push all changes to the Project and Output repositories with one command:
repo.push()

Re-using results from previous iterations

Each result stored with CADET-RDM is given a unique branch name, formatted as: <timestamp>_<output_folder>_"from"_<active_project_branch>_<project_repo_hash[:7]>

With this branch name, previously generated data can be loaded in as input data for further calculations.

cached_array_path = repo.input_data(branch_name=branch_name, source_file_path="raw_data/data.csv")

Alternatively, using the auto-generated cache of previous results, CADET-RDM can infer the correct branch name from the path to the file within the cache

cached_array_path = repo.input_data(source_file_path="output_cached/<branch_name>/raw_data/data.csv")

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