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YuanyueLi committed Jun 27, 2023
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4 changes: 4 additions & 0 deletions .github/workflows/run_test.yml
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steps:
- uses: actions/checkout@v3

- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v4
with:
python-version: ${{ matrix.python-version }}

- name: Install dependencies
run: |
python -m pip install --upgrade pip
pip install pytest
pip install -r requirements.txt
pip install -e .
- name: Test with pytest
run: |
pytest
19 changes: 13 additions & 6 deletions docs/source/index.rst
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You can adapt this file completely to your liking, but it should at least
contain the root `toctree` directive.
Welcome to MS Entropy's documentation!
======================================
Introduction to MS Entropy!
===========================

Welcome to use this package, you can download the code from `MS Entropy Github repository <https://github.com/YuanyueLi/MSEntropy>`_.
If you have any question, please send E-mail to :email:`Yuanyue Li <[email protected]>`
Thank you for using the MS Entropy package, you can download the code from `MS Entropy Github repository <https://github.com/YuanyueLi/MSEntropy>`_.
If you encounter any issues, queries or need support, don't hesitate to contact :email:`Yuanyue Li <[email protected]>`

You can find the documentation of this package at `Read the Docs <https://msentropy.readthedocs.io>`_.
This package comprises the following modules:

1. **Classical entropy calculation functions:** These functions are ideal for calculating the classical spectral entropy and entropy similarity for a small set of spectrum pairs.

3. **Flash Entropy Search Algorithm Functions:** If your task involves searching spectra against a large spectral library, this algorithm will significantly improve the speed of the search process.


For a comprehensive understanding of the package, refer to our documentation hosted on `Read the Docs <https://msentropy.readthedocs.io>`_.
Additionally, you may find practical examples in the `examples <https://github.com/YuanyueLi/MSEntropy/tree/main/examples>`_ folder on our Github repository.

You can also find some examples in the `examples <https://github.com/YuanyueLi/MSEntropy/tree/main/examples>`_ folder.

.. toctree::
:maxdepth: 2
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import numpy as np
import zipfile

from ms_entropy.flash_entropy_search import FlashEntropySearch
from ms_entropy import FlashEntropySearch


url_mona = r'https://mona.fiehnlab.ucdavis.edu/rest/downloads/retrieve/03d5a22c-c1e1-4101-ac70-9a4eae437ef5'
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