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Data-CAT

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0.7.2 Data_CAT-0.7.2-py3-none-any.whl

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Project: Data-CAT
Version: 0.7.2
Filename: Data_CAT-0.7.2-py3-none-any.whl
Download: [link]
Size: 63578
MD5: 243bed09047e07d8dfcc8670320e56a2
SHA256: 83512e7f570a67903431a1f361334ac9a506a8143b2d82b6a7e7f63a020992ab
Uploaded: 2022-03-04 16:12:34 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: Data-CAT
Version: 0.7.2
Summary: A databasing framework for the Compound Attachment Tools package (CAT).
Author: ['B. F. van Beek']
Author-Email: b.f.van.beek[at]vu.nl
Home-Page: https://github.com/nlesc-nano/data-CAT
License: GNU Lesser General Public License v3 or later
Keywords: database,science,chemistry,python-3,python-3-7,python-3-8,python-3-9,python-3-10,automation
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)
Classifier: Natural Language :: English
Classifier: Operating System :: Unix
Classifier: Operating System :: MacOS
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Topic :: Database
Classifier: Typing :: Typed
Requires-Python: >=3.7
Requires-Dist: h5py (>=3.0.0)
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: pymongo
Requires-Dist: Nano-Utils (>=0.4.3)
Requires-Dist: AssertionLib (>=2.2.0)
Requires-Dist: plams (>=1.5.1)
Requires-Dist: nlesc-CAT (>=0.10.0)
Requires-Dist: twine; extra == "build"
Requires-Dist: wheel; extra == "build"
Requires-Dist: pytest (>=5.4.0); extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Requires-Dist: nlesc-CAT (>=0.10.1); extra == "test"
Requires-Dist: twine; extra == "test"
Requires-Dist: wheel; extra == "test"
Provides-Extra: build
Provides-Extra: test
License-File: LICENSE.md
[Description omitted; length: 2088 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.37.1)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
dataCAT/__init__.py sha256=pEf9dxLjOq_8XiFUqeUeS81BKm33YlT-nDNYE4n1ro0 1452
dataCAT/__version__.py sha256=jeSReEjzrtnHONgfTUEZ-yzSol9aCHox9OktvtYSGus 55
dataCAT/_parse_settings.py sha256=1aw03SvmN6VomhuO8PI1OeVfHkUHynw99qEffjigFv0 2017
dataCAT/context_managers.py sha256=7TzA3fYvD647uZ1itY0a_I6dIQQqblVgPG9Xz0GKpBc 5904
dataCAT/create_database.py sha256=DcouqrfVjmq8i-i-ta31dYoKlYdRoRMr8LzTRU4fikY 10677
dataCAT/database.py sha256=CmXXJbvl4E4o5o-3Jz38P18tTWGoBs8buqryWk2rSqY 28154
dataCAT/df_proxy.py sha256=QYxqLVK33HWSeN8sh8f0m0OQuLRtbPjlVrIyCWKGjgs 5034
dataCAT/df_proxy.pyi sha256=KXqvNvQpc-PMu6JwNTAAW6EfRPG035dwTA7KkgtP-zM 1021
dataCAT/dtype.py sha256=TGNgsI7Fqu8tGJ9C0-Kstkb6kGMx-IECO_E0yMKbe1U 9757
dataCAT/functions.py sha256=k7e7lbT0vjqR4CIOZndxB71cIVsCbRfcEqWPd4jqJes 13237
dataCAT/hdf5_log.py sha256=lP_NYarzmRJaBre92ZVmknecx2vmcLodRTIoXHWbrMM 15210
dataCAT/pdb_array.py sha256=ycJFe8Rhgn430medLDt2ZXVztwOzcfYcWS4CENFDiRA 57382
dataCAT/property_dset.py sha256=cTRq9sY_mrs1zAGbbsUHJ1gM2uvgglMzKPoelxOnlkI 14953
dataCAT/py.typed sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
dataCAT/testing_utils.py sha256=aoQ2wLd-05PgjGDfpdR9aDI-08u0R05Gpn2XOtwEEvU 1174
dataCAT/data/CCCCCCCCN[CCCCCCCC]CCCCCCCC@N9.pdb sha256=CF0eXjitA1qKiqBW_2_TfXAdJDxkbdhk2x7IzGLG368 6835
dataCAT/data/CCCCCCCCP[CCCCCCCC]CCCCCCCC@P9.pdb sha256=D2bFjRbU5Jn4I37vAUCEojUKHUPnXaEDg9HfkUJzcHg 6835
dataCAT/data/CCCCCCC[=O]O@C6.pdb sha256=PARfdI_EIFQg_t0h4rDfy2WZXrNDNchgrQzPMqsA730 2078
dataCAT/data/CCCCCCC[=O][O-]@O8.pdb sha256=z8Pn1RUYS_YgJtOP_0JVb_uWEPwajRbw6KYNcG2kees 1980
dataCAT/data/CCCCCCC[=O][O-]@O9.pdb sha256=dxpmTdlYTl1dJxcHRwecp6nTO1ieeqFf7SP33ea48uU 1980
dataCAT/data/CCCC[O-]@O5.pdb sha256=dAUuGT3hs1KlkSOxi9-4fxjUsRfUpEcUlriiKuxIK8s 1251
dataCAT/data/CCCNCCC[=O]O@C5.pdb sha256=QDQlCwRg2Ldpau-7sDtqfqVtbIm8PE3Rjt44OtQv0_Q 1992
dataCAT/data/CCCNCCC[=O][O-]@O8.pdb sha256=t_DR48eRRCR7hJp5rZxnaqwMyR7dphcfRto9gzl0-IE 1894
dataCAT/data/CCCNCCC[=O][O-]@O9.pdb sha256=xzaON6AMd8BAm35NaCd8bdhzHBsUx7Avb2vgLYplsjM 1894
dataCAT/data/CCCOCCC[=O]O@C5.pdb sha256=gajwVyRR3W2yMmhxa4NgbMR1KsdfwsXBJRvmkMfHJr0 1894
dataCAT/data/CCCOCCC[=O][O-]@O8.pdb sha256=EcVklL-Tm0N3e7y8Mh6bMxI-CEcvsdEinYkIQW_LwM0 1796
dataCAT/data/CCCOCCC[=O][O-]@O9.pdb sha256=haPKLVfNmPuE7S82-VfMn1lpUMSC6T9-I6h6rOjNXos 1808
dataCAT/data/CCC[=O][O-]@O5.pdb sha256=jyznGXIrThIhgdt91jkydYqNgttZGx-7uJRIdMdyyjM 900
dataCAT/data/CCO@O3.pdb sha256=QtTBGSpDIY6tE0Y0Eyonb30SldbTj6EZ7V5woVtlDXA 809
dataCAT/data/CC[=O][O-]@O4.pdb sha256=BbcsbGtPfOmvUVqWtiYM_8FRP_TcVyoBRDhAYvauXB8 630
dataCAT/data/CC[O-]@O3.pdb sha256=2Ng1EApVXrprEa6CwXlLIjr-XjZiB6pxBS8Ff-NjhhE 711
dataCAT/data/CN@N2.pdb sha256=whQGQiCAShO_gbQ4Wi4Gi8CosfRL1y3M_ojglhUI79w 625
dataCAT/data/CNC[=O][O-]@O5.pdb sha256=CrZ5xRnZ8Q_01gqZDsplH2Jf_ljLWt4-5pyLCimMekU 814
dataCAT/data/CO@O2.pdb sha256=ZINK9gdItJXysQ5_CQZdP-WtpIi-jdiB1qcG5otp10E 539
dataCAT/data/COC[=O][O-]@O5.pdb sha256=iJRcoV43lIRBYmj8SCOgpWDFIxaY92Gqxuqd53vRjfc 728
dataCAT/data/C[NH-]@N2.pdb sha256=HKSDdFd0IXew4YxydXAYgaR5fmZR1YP-QsCjb-AqVx4 539
dataCAT/data/C[O-]@O2.pdb sha256=t94sLPxCUpdw5S33CjQ7grRkpLtFNeDuuIiE-uByiHA 441
dataCAT/data/O=C[O-]@O3.pdb sha256=LHz9K5YNnYvifjMi2E9ZZFt9tPMOMIbUxVKD7zB-Ytw 372
dataCAT/data/__init__.py sha256=I9Pbb_fjx-jIr03o_0sdT7g81FUgTWil4n-cFTX3yZ4 558
Data_CAT-0.7.2.dist-info/LICENSE.md sha256=eZ3k2vqC2Gg0OGnt2hew_eHK_hwc5EGxBV-_k89FcfE 656
Data_CAT-0.7.2.dist-info/METADATA sha256=iakdMn2ctUIk-Q6Ug5f566P5myyQfBNCgl7ry69jyDQ 3696
Data_CAT-0.7.2.dist-info/WHEEL sha256=G16H4A3IeoQmnOrYV4ueZGKSjhipXx8zc8nu9FGlvMA 92
Data_CAT-0.7.2.dist-info/top_level.txt sha256=MZMqmzxivZhb_IiDlRhqVg_4dh_7BG0Aexl3MsnCMsw 8
Data_CAT-0.7.2.dist-info/RECORD — —

top_level.txt

dataCAT