https://github.com/lukasturcani/cagey

https://github.com/lukasturcani/cagey

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• Host: GitHub
• URL: https://github.com/lukasturcani/cagey
• Owner: lukasturcani
• Created: 2023-09-07T14:28:13.000Z (over 1 year ago)
• Default Branch: master
• Last Pushed: 2024-02-28T17:58:20.000Z (10 months ago)
• Last Synced: 2024-10-12T11:43:49.996Z (2 months ago)
• Language: Python
• Size: 219 KB
• Stars: 1
• Watchers: 1
• Forks: 2
• Open Issues: 0
• Metadata Files:
  • Readme: README.rst

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README

        
:Docs: https://cagey.readthedocs.io

Cagey

=====

First and foremost ``cagey`` is a command line tool for creating and managing a cage

database. With ``cagey`` you will extract a a range of experimental and computational

data in a variety of formats and place it into a single file. You can then use this file

as input for your scripts which perform data analysis. You can install ``cagey`` with:

.. code-block:: bash

  pip install cagey

Once installed you can use the command line tool to create a new database:

.. code-block:: bash

  cagey new path/to/data path/to/cagey.db

This will create a new database at ``path/to/cagey.db`` and populate it with data from

``path/to/data``. There are in fact a lot more things you can do with ``cagey``, and

the best way to learn about them is to use it interactively, starting with:

.. code-block:: bash

  cagey --help

::

   Usage: cagey [OPTIONS] COMMAND [ARGS]...

   A cage database tool.

   Run cagey help intro for an introduction.

  ╭─ Options ───────────────────────────────────────────────────────────────────────────╮

  │ --install-completion          Install completion for the current shell.             │

  │ --show-completion             Show completion for the current shell, to copy it or  │

  │                               customize the installation.                           │

  │ --help                        Show this message and exit.                           │

  ╰─────────────────────────────────────────────────────────────────────────────────────╯

  ╭─ Commands ──────────────────────────────────────────────────────────────────────────╮

  │ help         Get help on how to use cagey.                                          │

  │ insert       Insert new data into the cagey database.                               │

  │ ms           Mass spectrum analysis.                                                │

  │ new          Create a new database.                                                 │

  │ nmr          Extract NMR peaks.                                                     │

  ╰─────────────────────────────────────────────────────────────────────────────────────╯

Working with the database

-------------------------

Once you've used ``cagey`` to create a database, you can use the ``cagey.queries`` module

to extract data from it in your Python scripts. This step is best understood by

reading our documentation, which you can find at https://cagey.readthedocs.io.