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AUTHORS

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2020
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- Lily Wang (@lilyminium)
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2023
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- Irfan Alibay (@IAlibay)

CHANGELOG.md

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The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
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and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
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## [0.9.0] - ????-??-??
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### Changes
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- Update package to only support NEP29 range (Python 3.9 - 3.12 as of writing)
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## [0.8.1] - 2021-10-04
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### Added

MDAnalysisData/__init__.py

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# Modelled after sklearn.datasets
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# https://github.com/scikit-learn/scikit-learn/tree/0.20.X/sklearn/datasets
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from __future__ import absolute_import
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__all__ = ['datasets']
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from . import datasets

MDAnalysisData/base.py

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# Code taken from sklearn/utils/ and sklearn/datasets under the 'New BSD license'
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# https://github.com/scikit-learn/scikit-learn/blob/master/COPYING and adapted
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from __future__ import print_function
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from six.moves.urllib.request import urlretrieve
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from urllib.request import urlretrieve
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import shutil
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from collections import namedtuple

MDAnalysisData/datasets.py

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"""
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# import load_* and fetch_* functions from modules
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from __future__ import absolute_import
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from .base import get_data_home, clear_data_home
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from .adk_equilibrium import fetch_adk_equilibrium
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from .adk_transitions import (fetch_adk_transitions_DIMS,

MDAnalysisData/tests/test_base.py

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# -*- coding: utf-8 -*-
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from __future__ import absolute_import, division
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from six.moves.urllib.request import urlretrieve
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try:
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import pathlib
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except ImportError:
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# Python 2.7
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import pathlib2 as pathlib
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from urllib.request import urlretrieve
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import pathlib
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import os
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import os.path
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MDAnalysisData/tests/test_datasets.py

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# that are quick to install but slow to download do not benefit from caching,
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# as they take as long to download from the cache as from the original source."
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from __future__ import absolute_import, division
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import os.path
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import glob
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MDAnalysisData/tests/test_package_metadata.py

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# -*- coding: utf-8 -*-
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import sys
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import six
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from six.moves import reload_module
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from importlib import reload
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import pytest
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import MDAnalysisData
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with pytest.warns(UserWarning,
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match="Could not find authors.py, __authors__ will "
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"be the generic MDAnalysis team."):
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reload_module(MDAnalysisData)
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reload(MDAnalysisData)
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authors = MDAnalysisData.__authors__
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assert authors == ["The MDAnalysis Development Team"]
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def test_version():
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# very generic because versioneer will provide different strings depending
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# on the repository status
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assert isinstance(MDAnalysisData.__version__, six.string_types)
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assert isinstance(MDAnalysisData.__version__, str)

setup.py

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trajectories that can be used for workshops and extended tests.
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"""
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from __future__ import print_function
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from setuptools import setup, find_packages
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import versioneer
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'Operating System :: MacOS :: MacOS X',
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'Operating System :: Microsoft :: Windows ',
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'Programming Language :: Python',
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'Programming Language :: Python :: 2',
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'Programming Language :: Python :: 2.7',
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'Programming Language :: Python :: 3',
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'Programming Language :: Python :: 3.6',
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'Programming Language :: Python :: 3.7',
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'Programming Language :: Python :: 3.8',
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'Programming Language :: Python :: 3.9',
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'Programming Language :: Python :: 3.10',
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'Programming Language :: Python :: 3.11',
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'Programming Language :: Python :: 3.12',
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'Topic :: Scientific/Engineering',
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'Topic :: Scientific/Engineering :: Bio-Informatics',
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'Topic :: Scientific/Engineering :: Chemistry',
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'Topic :: Software Development :: Libraries :: Python Modules',
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]
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# Python 2.7 compatibility
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test_requirements = ['pytest', 'pytest-mock']
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if sys.version_info.major < 3:
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test_requirements.append("pathlib2")
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setup(name='MDAnalysisData',
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version=versioneer.get_version(),
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cmdclass=versioneer.get_cmdclass(),
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packages=find_packages(),
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package_dir={'MDAnalysisData': 'MDAnalysisData'},
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package_data={'MDAnalysisData': ['descr/*.rst']},
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install_requires=['six',
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'setuptools',
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'tqdm',
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],
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tests_require=test_requirements,
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setup_requires=['setuptools'],
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install_requires=['tqdm'],
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tests_require=['pytest', 'pytest-mock'],
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zip_safe=True,
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)

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