Wheelodex » Projects » polymerist

polymerist

View on PyPI — Reverse Dependencies (0)

0.1.5rc1 polymerist-0.1.5rc1-py3-none-any.whl

Wheel Details

Project: polymerist
Version: 0.1.5rc1
Filename: polymerist-0.1.5rc1-py3-none-any.whl
Download: [link]
Size: 290920
MD5: 9268ffcb258ce7f2c0a7bdebea336c75
SHA256: 0518dd7a63a20c6a5c779be8c0ca32d1efa2f6bc31a1bd89f41fe04ccce7abee
Uploaded: 2025-01-17 04:09:27 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.2
Name: polymerist
Version: 0.1.5rc1
Summary: A unified set of tools for setting up general organic polymer systems for MD within the OpenFF framework
Author-Email: Timotej Bernat <timotej.bernat[at]colorado.edu>
License: MIT
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Requires-Python: ~=3.11
Requires-Dist: importlib-resources
Requires-Dist: numpy (<2.0.0)
Requires-Dist: scipy
Requires-Dist: pandas
Requires-Dist: rich
Requires-Dist: pillow
Requires-Dist: matplotlib
Requires-Dist: anytree
Requires-Dist: networkx
Requires-Dist: rdkit
Requires-Dist: openmm
Requires-Dist: lammps
Requires-Dist: mdtraj
Requires-Dist: pytest (>=6.1.2); extra == "test"
Requires-Dist: pytest-runner; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Requires-Dist: codecov; extra == "test"
Requires-Dist: jupyterlab; extra == "interactive"
Requires-Dist: ipywidgets (==8.0.4); extra == "interactive"
Requires-Dist: nglview (==3.0.6); extra == "interactive"
Requires-Dist: py3Dmol; extra == "interactive"
Requires-Dist: cirpy; extra == "chemdb"
Requires-Dist: pubchempy; extra == "chemdb"
Requires-Dist: chemspipy; extra == "chemdb"
Provides-Extra: test
Provides-Extra: interactive
Provides-Extra: chemdb
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 9313 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.8.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
polymerist/__init__.py sha256=SXy9MF9HVGja3cv1cvLPm4E2ux_wVapASESM0qGtRWg 481
polymerist/_version.py sha256=ZIJsrILzrkbkXyI_KP6_rgK64LPcZopzfJaonmLpiRk 25
polymerist/polymerist.py sha256=w5fn8DAynlYYucx3jRfvDCLKVt72Y5PVSW17HkljmZg 808
polymerist/py.typed sha256=o_skYYOgBqbwMt-5lUZDunyM7CcemHaJt2k9MsSACeY 61
polymerist/analysis/__init__.py sha256=ucbdRNjDhj2enSEzo3RyXK604hHyjLR5MgQ15Gw5LFs 156
polymerist/analysis/calculation.py sha256=bjae9K2h3Yhp_ZjJ-Xv551XOJ8nq4vNvLncHpU0uANc 1729
polymerist/analysis/mdtrajutils.py sha256=d6Q0I0EXltioDZDFN1mNxLY2mOYRvoCL9x61ryC9u-c 6357
polymerist/data/__init__.py sha256=TyaEK5BzZ2b0Y4zzrRBBSNTEsnUOHkYG_jZr-TQgY5M 137
polymerist/genutils/__init__.py sha256=icKUOCd-f5vzxxkroQNc20FO2JxwyFq6PUm1Wb7RPRc 151
polymerist/genutils/attrs.py sha256=M2Pl8JuYqkhw3h-9Fn-i9dz-eXmax3mhv3xlzs24odA 1913
polymerist/genutils/bits.py sha256=Q4lxz00GpjOM533giRm2kJ0acYa2cx2z-yIv0Wg8w-k 879
polymerist/genutils/containers.py sha256=skpqSDiAcXz8O2R1qmWMZNEf-zBmviTrqUvlY6h011A 2780
polymerist/genutils/duration.py sha256=RlmQ2bAb75Cmk1ZLFojO3LZ9MhwjE2vconSm8iWJVv8 5397
polymerist/genutils/filters.py sha256=0H6U_wNlkedD7sMpE1lCoGG_L17HwLtEwqQzyWf0auA 675
polymerist/genutils/iteration.py sha256=6uWWSulqf96Lo-N9Bk4k6Az7E_NIk4iH3ZAiAAM6-Yc 4269
polymerist/genutils/decorators/__init__.py sha256=r690GaT3Kg7n8d8ndKaM1-UYUVZuk_vaFfB1bxHZT3Y 180
polymerist/genutils/decorators/classmod.py sha256=ZYOVMKe-n8jur_yi2DMPg6G7LdIdnhFlQiAqdsRoEnM 5342
polymerist/genutils/decorators/functional.py sha256=y4Qpz0gJWxKV1A61A2X-5k_IfuZpfpXDSH9nTyoI3p4 6232
polymerist/genutils/decorators/meta.py sha256=B0DDWX3YFRe4YIyKyQzcc04vd_7E-BWDiTsQPuqXQ3o 1924
polymerist/genutils/decorators/signatures.py sha256=HKC1W7ej_YTmaQPKxClMwReG4noQanx1JVCRTrgxgRM 2089
polymerist/genutils/fileutils/__init__.py sha256=65uFTnVVRQ67WKArbWVvTia5cXT-NdevCNhhdxLEKkc 167
polymerist/genutils/fileutils/extensions.py sha256=NWKuw_sOHyizVGs7kSgM3XoIM105Co0QjbYv0iinRqI 580
polymerist/genutils/fileutils/filetree.py sha256=BQV5JV00FDBW3qiT7NC-rs81FpPpM8HrEiTpluJcNDE 1812
polymerist/genutils/fileutils/pathutils.py sha256=qC00Jy3xxiFloo1V1IPzi_6rtcYK6PxCyEFUC6kjfcg 3946
polymerist/genutils/fileutils/jsonio/__init__.py sha256=U9j1DmZmhZkvyw2kO_vqYa1mePuO3u362q--jzjsB0A 129
polymerist/genutils/fileutils/jsonio/jsonify.py sha256=MLTmMfPoPS000kxczRX3CPtAgH8zJLH5Ulm9ugpf2dE 5247
polymerist/genutils/fileutils/jsonio/serialize.py sha256=lEaEc0JQbg-7G7iAjZs5867gBcHGMEmWEwp9cfbdCSA 6593
polymerist/genutils/fileutils/jsonio/update.py sha256=FdsjRuZI2Ic_r1FB9aCMz_wISIQwMFEO-B33YI1diC0 2298
polymerist/genutils/importutils/__init__.py sha256=msjFQsJ0ln_j-htm1p2fsNkq8trGHLUhxiBvoyQ94I8 296
polymerist/genutils/importutils/dependencies.py sha256=L1KHU30goySfcaYvV_cfjbRuqVQSRT5gDkbsiI87UX8 5166
polymerist/genutils/importutils/pkginspect.py sha256=kX44ADd3dYi8PfQUJDapXFLXTPnhQ4u5aR8RGVQJeDI 4941
polymerist/genutils/importutils/pkgiter.py sha256=92jiusPa3dBMRDCUhcekG9s2r8EF1PDHj3hSvt4vtCs 7320
polymerist/genutils/importutils/pyimports.py sha256=mADVRfrCRmB2fW6xz7sJyc3Sx190zl4vKA45KxBUpho 3266
polymerist/genutils/logutils/IOHandlers.py sha256=-lvnsP_SZNrnNMNnKXbhSFM_m4Rwe_mRgM9NIyfG9Mc 9725
polymerist/genutils/logutils/__init__.py sha256=2fw3eWr8T4dVZxH8vYd5Uch4Ep7CA8R0i__UmXoE5X0 144
polymerist/genutils/logutils/timestamps.py sha256=xJb4j0tENn-SN-c7ALI1NFGEYM-3CfmN6KGAMJIhFfk 1397
polymerist/genutils/sequences/__init__.py sha256=mm68xdDLjy1vlhwcUlsi0Lpd5oo_2y7TfmEhR2nQyvU 285
polymerist/genutils/sequences/seqops.py sha256=lXkamEaGIzR3XVBVeNm9HKpQVWf_5FdgHHq30nE5t5w 1952
polymerist/genutils/sequences/discernment/__init__.py sha256=Vm-JmS43rlY5PZs6HDI7UhO1c5HPj0TbkEeo6z5011A 744
polymerist/genutils/sequences/discernment/enumeration.py sha256=8bviufIHwlbgv2azOMkzN4EmhVKWuL0ZAGXpJLcmrlw 2475
polymerist/genutils/sequences/discernment/inventory.py sha256=gXCwnOpaigBawtCp1uwT1qvGcfoMuYTwE9u12IrbTtU 10257
polymerist/genutils/sequences/discernment/strategies.py sha256=UY1JtQ5vezyM3eHvelFPIsypvjB59PYyaPYtUsnJ1O4 8694
polymerist/genutils/sequences/similarity/__init__.py sha256=IMsx9mpKPNOOzlbBHSIBVhc8tHL2_-I02vj8ySq7Vb0 163
polymerist/genutils/sequences/similarity/distances.py sha256=6VGrrSPJFH70MFx4_AlEbDeq1ZGcLxNSvFJw2IgHg90 1795
polymerist/genutils/sequences/similarity/edits.py sha256=ceihZvf4VielyYcZXsJsk2sZ7khHEpn6oCPV_QlzS-w 6727
polymerist/genutils/textual/__init__.py sha256=gzA-L8CACcisV1aCxAWt3hWVYopfZil7jtkfEG7pMD4 369
polymerist/genutils/textual/casing.py sha256=VGS_8n1ieEvUM0sY2VM23W_bP-1sdHRpY0di0K5PA9w 789
polymerist/genutils/textual/delimiters.py sha256=aeCh68tEnOEBwlDsttTBwqA9LePapNq0QsE0UlwjJzw 4707
polymerist/genutils/textual/encoding.py sha256=ajqH0ITQwGuTuUt0Mqpnjod4H5suzhycxemWoelsyIg 1005
polymerist/genutils/textual/interpolation.py sha256=0Qid1pUO9AcW9mCYqfTkkIs-oPH7uq5VIptmH_H0vV4 981
polymerist/genutils/textual/ordinals.py sha256=GcDtIbFVtL5K0sIAWrqq6_sF9Q9hRqkkO2GMfKKNiOs 1692
polymerist/genutils/textual/prettyprint.py sha256=vwjNkjNFRZW7DFPF9K1Ao83vJ5mFsO0NTil65ku_k94 2566
polymerist/genutils/textual/substrings.py sha256=o_d_M8-axB7GvoyHsttCbqVpC64VbbXlGeN-SK91eGM 3558
polymerist/genutils/trees/__init__.py sha256=xtHF4KwgMS7wjpuUAVZvK79mIt3MmCLAfO15HZUpDzU 356
polymerist/genutils/trees/treebase.py sha256=u6kCThSUp-kgGyHUleuo1VL9sTTjwcKzvAo_iIBqfqg 5042
polymerist/genutils/trees/treecopy.py sha256=UOsALSj8cc6PJFvIkbU1Mx1pg98uxp8KxL8ZAGRfe4Y 8382
polymerist/genutils/trees/treeviz.py sha256=HPeP3GSJCQc_6lhU18e54UA23qGLa1VSnbKUJ_wbjIQ 1500
polymerist/genutils/typetools/__init__.py sha256=nFrl_s5kWB5h1fviUlzKwA9yBshPrqs0rQfKlMN_S0w 152
polymerist/genutils/typetools/categorical.py sha256=jAxi_5tqispPY8W_1ENIdSpJhkdEOm_DNU4_x3_peTQ 2459
polymerist/genutils/typetools/numpytypes.py sha256=zVq1XRUpr6A67dfhHKUdtoM1FS_ARXRqDECJyqhK3F4 1766
polymerist/genutils/typetools/parametric.py sha256=U0T1xoAmOIe0kYM57EasA3zGAQnYKMxZ2J4Jsqfc6w0 861
polymerist/graphics/__init__.py sha256=E8o70ZgxleRcY9kM8lr_k6GTnA6gFfP077qXhXe3sLY 140
polymerist/graphics/colors.py sha256=_nulnQO1ubmmZFnZOmfNfSqMvUZKTI4ieaXkTAFg1yA 309
polymerist/graphics/imageutils.py sha256=rYms0SlAfRULTTT8ULzKq1IpQeFh6C2fT40PMGgLXo0 1795
polymerist/graphics/named_colors.py sha256=x1f2Saljs-C5rcsMEEXOvA1UlStgFmY9FjmkhCScIJk 275
polymerist/graphics/plotutils.py sha256=lnYJ4rZ6po6pCRmjuN7YXerxO_x_npV10fUEm5JT9T8 5726
polymerist/maths/__init__.py sha256=Veq1IPjiTet7hgA104RIINwaQLwAi60CZiBSZXMAc5k 150
polymerist/maths/primes.py sha256=EThBKQazr6kHSvmn2kv0qFHBeuoFkBNfNpqgg7nUUEE 1754
polymerist/maths/statistics.py sha256=AMEVu4n4jInS19xHLmuqRis0RZc2uVwyUSfHu0Gu8nE 1650
polymerist/maths/combinatorics/__init__.py sha256=Ia-nPqe9ig_ncKOiBETtpufnVM3EaarqDGfvUOYy44I 128
polymerist/maths/combinatorics/numbers.py sha256=JODr5Pk3S_ZAyxACRrXShxr3YiSocy8edBjzGKBmy10 5667
polymerist/maths/combinatorics/partitions.py sha256=71qxQXeB_4HE7Zo6yetnffI0AeZ0b7C7a1ZN7PUMw6M 1589
polymerist/maths/combinatorics/permutations.py sha256=fSsJ_ja-KUDIiyQkleANvqpSXWU6UBfieKb_B9mCCho 19051
polymerist/maths/combinatorics/tables.py sha256=8oStd2ts8CxZX0YmnMw8JlUTSBXT8p5AWFWl4LuWwUM 1272
polymerist/maths/fractions/__init__.py sha256=a2_w8vrmddFT_ebnYedAxSLEo1gkADY1qITPJtYf1hQ 162
polymerist/maths/fractions/continued.py sha256=241vPU1IqWYExWrOLbhxiutozmLTUGwgW06sW4HdCrg 4130
polymerist/maths/fractions/ratios.py sha256=eQ0EzVNLUlviJiLwYlyz3Ez6aawJ55KQDlIr4OWGNAg 3293
polymerist/maths/greek/__init__.py sha256=j5J3FxA7tiX7O8XoRXYYQD-TkvADBFoJsVNNflxOzds 258
polymerist/maths/greek/alphabet.py sha256=z1LGLlnQm0_UKnmE5JFQWbxssjmmHVjwpSqtWLNVg8k 871
polymerist/maths/greek/prefixes.py sha256=Mg-vmQQIyWau5PoWvCkusGRuhDfhxOQbT0AsniyekTc 1920
polymerist/maths/lattices/__init__.py sha256=VZD53tO61QhQkMX0aiaJ_HiJB38HJDwoOCGCR6H_11o 139
polymerist/maths/lattices/bravais.py sha256=1nwk5u7oBpMm6kVV9zK4vodc4cw2G2slfyjH-UGOt0I 10463
polymerist/maths/lattices/coordinates.py sha256=nM3olHOkDWpgDpllZM1oGAiUh7bWNHMOgRQZcjOfF78 10142
polymerist/maths/lattices/integral.py sha256=I10Z8gbLLPy20-OYeXMRfkBX79uFc9Q0Zgm8vXYm9Ak 5469
polymerist/maths/linearalg/__init__.py sha256=l5Zguyz2AaE_dpcR6vQtpKAFGV_emCLiHqJfDoWoqNM 184
polymerist/maths/linearalg/affine.py sha256=1bwLIoZlKJm9R18I2XHxjHP0L8WJ8S3G13j1teUT5to 3206
polymerist/maths/linearalg/decomposition.py sha256=7hlXbXb6_Het7AptboQzViUy1E2aRF5ZjeAG8ywgqpk 1123
polymerist/maths/numbersys/__init__.py sha256=7sv1v6aJgfWFZ69lL5vsJ-aVY-OztWPLcMFZdpEvZGE 846
polymerist/maths/numbersys/commonbases.py sha256=XL74bYibpn-dPMfe_O07PPvh3cvj1YvAm6VR1Ml6MfY 1273
polymerist/maths/numbersys/positional.py sha256=E3RjZr6YfuNfIzp9wGsPxmJGdfX6OABlnDUYfxuT7WA 3986
polymerist/mdtools/__init__.py sha256=YNAx9d7lbAZdeoNwtw80aTLoyxPm45wd70yyPW1-pso 169
polymerist/mdtools/lammpstools/__init__.py sha256=fiEIX2v1XutobLC1SORnce_GMNoBD_n_8NT2aidXkLM 138
polymerist/mdtools/lammpstools/lammpseval.py sha256=LtS6T21D7Rt7O_0H2KzEff11HYW_JWWSov2wplTH4go 5155
polymerist/mdtools/lammpstools/unitstyles.py sha256=bvDJsyO9TRv1ju-fS8pHhRCHWTRula9rgpmgznv4Hak 7661
polymerist/mdtools/openfftools/__init__.py sha256=Bz39n2LttkGiXNJQGoTzvL9_zISlzHVG5NSb_srwaT8 1250
polymerist/mdtools/openfftools/_forcefields.py sha256=OzpRwz010OhtLgbb_ZWVfmJBgN4fEqkujPXJj9W9Tk8 1104
polymerist/mdtools/openfftools/_toolkits.py sha256=cbGDaTobyAtLFiAEhluQbQOHkebMwQaT7TaEIt_qHH0 6600
polymerist/mdtools/openfftools/boxvectors.py sha256=8PDuNgNMIuyLIk4fRsqIjxuZw73N5R94qRHNlJTmRxo 4087
polymerist/mdtools/openfftools/partition.py sha256=sS16r5SKpfuu1EvA8J3eBHsrJTVQZ0SiREJbw2jhB7E 10494
polymerist/mdtools/openfftools/topology.py sha256=oI0h_1pxTKTY_27qMq-1TBpaNRHlrDFW-dB76zDtUOU 6095
polymerist/mdtools/openfftools/unitsys.py sha256=u1h1MH_qbglB1AsqONBnxVhyFqgMCh4MNYcE_ynQt6o 1840
polymerist/mdtools/openfftools/omminter/__init__.py sha256=P31v2d2m-qTR3W6Y28ZjxS-fqY7b5MJa7x0bnGoyJIA 192
polymerist/mdtools/openfftools/omminter/mdobjects.py sha256=OV5ZN-G43BL074Up0C8JdwaWgxKs5I7QJ13kK_p7QHE 2747
polymerist/mdtools/openfftools/partialcharge/__init__.py sha256=BkWoPFeNRLXXxx_m0pZ742RtrJozVdREI0M5pkZygN8 247
polymerist/mdtools/openfftools/partialcharge/molchargers.py sha256=-b0xLY5qyvcd-XSAjOvbFpUxuM8Pj0t44vvaiT46OJM 4542
polymerist/mdtools/openfftools/partialcharge/rescharge/__init__.py sha256=oKBvenyVNo8UMe9feNIatS-Lpwyl7879QSZvdsZ8JJE 165
polymerist/mdtools/openfftools/partialcharge/rescharge/calculation.py sha256=mBBPYNpcHXmm1-rwAhAQ7LqzrkjT1_hhV1Z9etXMgDs 5240
polymerist/mdtools/openfftools/partialcharge/rescharge/interface.py sha256=sGpQA6P416yV5u9XUI11njOBpH7X5q4D1N1Ivj37z58 933
polymerist/mdtools/openfftools/partialcharge/rescharge/rctypes.py sha256=1WtvXsolAnLc-T1BwjYzbeg7OkU9nGfp9KAF2qoxhCE 1188
polymerist/mdtools/openfftools/partialcharge/rescharge/redistribution.py sha256=rc3TW4OCK-5k5gZO2AIlk5PUiCcU1v3-8JUwXJRpvA4 2469
polymerist/mdtools/openfftools/solvation/__init__.py sha256=D5Qh9TkZj85dnDhp6SvTtlGrcW0rfE06qI77pm7xidQ 118
polymerist/mdtools/openfftools/solvation/packing.py sha256=mkHQikVU3NvDIR-0ReT0GNmEultGSWg3Y8ATWvqYa0s 2272
polymerist/mdtools/openfftools/solvation/physprops.py sha256=ioj1K2GnbmrpdS9OkLcvgaz7xC4h8ExXYshN3eultSM 2827
polymerist/mdtools/openfftools/solvation/solvents/__init__.py sha256=GhBQ6diaAQh5rqwjLl6rUbEIJM5ENJrg1lksZ07O3ks 1538
polymerist/mdtools/openmmtools/__init__.py sha256=lemn_DXVfL6T6OvMZ1t0u5ugoK7blvpnwnjO8XbP3pE 181
polymerist/mdtools/openmmtools/description.py sha256=RF2iNEcTpJBT2f44Ytbz5PJDwL06KzfLO-63sDpXZxg 1767
polymerist/mdtools/openmmtools/evaluation.py sha256=9lg7qMrpBTLfvc1EKS0S89sn-60qQ2XwLPXpenXAv04 3005
polymerist/mdtools/openmmtools/execution.py sha256=0FdyKkOwADfgXR_kw5UnzV0_beUfGPKpzUAwPoOVqr8 3410
polymerist/mdtools/openmmtools/forcegroups.py sha256=CjDbg19iAekczZ_xDSlp3LERqq39u_G7Z8VrsBoK00Q 1805
polymerist/mdtools/openmmtools/parameters.py sha256=m58U3AwpOGKtHyWcJEfwnl83Ouq4dxXpx-UmAnfmMwc 2082
polymerist/mdtools/openmmtools/preparation.py sha256=PU-UmfuTJ1UvXrGvJ_OcdRETWRgLn4JMivz3JiRVkGA 3745
polymerist/mdtools/openmmtools/reporters.py sha256=JpjqdAmkuPVWaIU4AccJZ-VNCY0PO6Q7ya1um52cHgg 5526
polymerist/mdtools/openmmtools/serialization.py sha256=91P_YO0DD5azAlUrWh2gW2nMdXan0mR5SoTe_WjS1V0 7068
polymerist/mdtools/openmmtools/thermo.py sha256=2dujPTp9_IjF3y15h8U3TIidQftKvhRHYlsSA7BLnJc 4896
polymerist/molfiles/__init__.py sha256=YETkVjrQFKp29BKp7CNk2AqfEI4DiacD724xm8S9w1k 151
polymerist/molfiles/pdb.py sha256=EiTSb_dzv49th0itZWG1y8FGL2sa9Y_ca2G3qOteG90 3349
polymerist/polymers/__init__.py sha256=VVGV_LFCKdSXuEjJ9B90UW0hiSk9mg3hGIFOlBtIDaE 159
polymerist/polymers/estimation.py sha256=Ka8GNS6uFXG8za_rzVCqAxWjyAKaeLGz1LuVov7myZE 3531
polymerist/polymers/exceptions.py sha256=ppF4iT5m33NoURietYccAT_c3uLmwP9iJ8i0H78dTBA 1773
polymerist/polymers/monographs.py sha256=ozOD6WhSN0tPtJQqX3Y2QE1uybBIVQV13ZPol8tl2U4 8593
polymerist/polymers/building/__init__.py sha256=XWzFKlQVOCQlhvzyWx0XCNk7rAaV6ldYoIrobUgrAbo 763
polymerist/polymers/building/linear.py sha256=gIxjAItINGYQ6_76G_r9Ypc--aGzHYlMLpLwllTs42Y 4885
polymerist/polymers/building/mbconvert.py sha256=ypEdPxzm9OUsp6LoQleilLMFxCByTjdwdj4BoHSw2pE 6291
polymerist/polymers/building/sequencing.py sha256=OjINUamNYzcsjgQSfwC-0dWpW2-g5mdd-paL9vY4teA 10109
polymerist/polymers/monomers/__init__.py sha256=t9qPi48pGQ_Vb0PpCcJK4VDqE8xdJmSBw_aK1rQkRGA 352
polymerist/polymers/monomers/conversion.py sha256=o5ql5Neb2WRrUq1tU75mzmKCiSG7EEOwZ1XptnKJofQ 19205
polymerist/polymers/monomers/fragments.py sha256=rKw1owO76cYMiR119BmRHqVwrvNaKXevUMoTL6R7JgQ 2958
polymerist/polymers/monomers/repr.py sha256=-Jhk3jMaQwHMddeaNRmFkBr_PdJjfBgwhPSF2gi75tM 11836
polymerist/polymers/monomers/specification.py sha256=RCrI7BvBvUgomhM4CNWY0LpedXfdIrioTt6ww1yOWlI 5717
polymerist/polymers/smidgelib/__init__.py sha256=_6hXcexE5gwmgMo8cS2pfkZ9IWwcRYSqnLYYSZwJ8WY 3404
polymerist/polymers/smidgelib/smidgebonds.py sha256=WOjByKTiyeKwgy0kGIfKD_x6YgsBrUZ0JDjuKUjWh6Y 3364
polymerist/polymers/smidgelib/smidgeread.py sha256=ur2uG4mFr9W8RCxIWBpQdABMI1Uyrxa79GDs5WMv4uQ 5927
polymerist/polymers/smidgelib/smidgewrite.py sha256=Dy1C4JzTLfHps6BrA4VXDtyG1iOE7nZ4ZR4jBG0hLdQ 8779
polymerist/rdutils/__init__.py sha256=hnF7J6i_N_pdPGYy_WRFKZPVs4dn8tN7345-uUwaLl0 357
polymerist/rdutils/rdconvert.py sha256=G2uZL7wdg9JdiWg7ENZpa5jf2G0F9Zii-L8EfTTcRmw 2763
polymerist/rdutils/rderrors.py sha256=FDyJjMwjcRiMIpXIVO5l7ghQx3o9FX28fo3LiNVVYps 486
polymerist/rdutils/rdgraphs.py sha256=4AhQaAAp8hfnNtCrAhcKeu9wp0z9xAFxt53Vaerom2U 2062
polymerist/rdutils/rdkdraw.py sha256=hfuGgI38BSM3shaxhLpxlNJa8vcR86FgKbZ2pyWarqM 4203
polymerist/rdutils/rdprops.py sha256=3eIIkNlE1RObgNc39vkaerv83aCTuE1IkzYHpD3zWEw 8471
polymerist/rdutils/bonding/__init__.py sha256=4gfUWwm6jazn4A-qe5TpkuQSip1ldXz5taymBaRqLjQ 173
polymerist/rdutils/bonding/_bonding.py sha256=-rleEyzaQye7NspdhC1nvWolHcnFmzWKXMjxHcWpwy8 989
polymerist/rdutils/bonding/dissolution.py sha256=6MlRNpW8Y1vKNp73rcVIKNSZ6iuMZx_RvmRsa8XuAqU 3398
polymerist/rdutils/bonding/formation.py sha256=AJjj1wyn1_NxOpzhLXD0KoDl80UfaUNBXRCiGxjVmx0 3593
polymerist/rdutils/bonding/identification.py sha256=uF9VJ8CURHWmRCR4xHhg3KbaIuQpnNOU4gahC9NHU-Y 5596
polymerist/rdutils/bonding/permutation.py sha256=mtf5IrFo-cotGjzwWHbnOwQ7Y8_swc8uPb5QVlejvwk 4043
polymerist/rdutils/bonding/portlib.py sha256=Op2nM4Yy1Q36MG5KWr0ZrnKaDu7onyC9FVuQhFkQh1s 5835
polymerist/rdutils/bonding/substitution.py sha256=cNhVP3E8DFNYUuao6a3_QCRZW0kmuSvhN389tGAbUHE 4293
polymerist/rdutils/labeling/__init__.py sha256=Q9GLHVdpgFEhNkxu87ao8Dd5Kf1VqCMaysHHCDhVWb0 162
polymerist/rdutils/labeling/atomwise.py sha256=kUK0qzbPRI6HM_5GAgUCATyFprovdqHAJXCmvOgD33U 1441
polymerist/rdutils/labeling/bijection.py sha256=K1Dp1-U0e_Juw9FLCmeJW1RdmHaPEhNdWkGf5501nv0 1430
polymerist/rdutils/labeling/bondwise.py sha256=hw0KXjSrWnZ6VZH9zqWMDSVVJyCcOSe5arAFgzaL6bQ 3379
polymerist/rdutils/labeling/molwise.py sha256=-RwYn1L5-238AkxWuAlKBgVAhGx5GzquuorTLmR5HY0 5333
polymerist/rdutils/rdcoords/__init__.py sha256=hDzfa48uWZ8yuV_WtTXCmqpQCbu224f38K6BCrKUsJA 137
polymerist/rdutils/rdcoords/tiling.py sha256=2TPiUSOftFfxJ17Odry_GDILYU-j1WSiE5bUhWfMP8I 2732
polymerist/rdutils/reactions/__init__.py sha256=qj2L294fAYPlgvwgDti2xgWY_99rsSVgMxAf_bL17ZI 163
polymerist/rdutils/reactions/assembly.py sha256=4nqHnIw3EpNAXons6PiYgZLwMDnV3hheq_viD1JsBQA 5170
polymerist/rdutils/reactions/fragment.py sha256=F_5cl51eRrfzWuHQ7bUPy3Ybmc7oUE-fq9CrWZ-wJ1g 4394
polymerist/rdutils/reactions/reactexc.py sha256=ouoNOfnq-OofVqdRzJgm0z5V-N-hiXZtJXp-jIfwsNs 685
polymerist/rdutils/reactions/reactions.py sha256=9QC5t47gMoltxiUehJGS0cRrc8604ersz9w77DMrzUs 11647
polymerist/rdutils/reactions/reactors.py sha256=MZmvzjPIcL6mEd4bMoyI-7RIw51f9RKNaBX_aRIivFY 8280
polymerist/smileslib/__init__.py sha256=NcDiZViHs9yGVuWQNP_rr0elujJAHznphp0iV5j0aNI 228
polymerist/smileslib/chemdbqueries.py sha256=H5b6yF0FG-QiSdgDP2CuSFTi0R6t0hXuqfyAglEElkI 13634
polymerist/smileslib/primitives.py sha256=YwKNg9_O93Ia9C9Il08oIU8VvknP-Kpm2AybJDbeaRA 2268
polymerist/smileslib/substructures.py sha256=25PLI9dDXAnpmy6HADtI2_geJWgehvmboEYajXkld3o 4064
polymerist/smileslib/functgroups/__init__.py sha256=pSPMf-ujFuaDQRR7gRUn6rdJr4RkD-RarhF1EFv3aUU 1386
polymerist/smileslib/functgroups/_daylight_scrape.py sha256=klVRVoDlP1LNFcBOSA5EVhSyCjsUtYyzrTl9Kq1eIyA 2109
polymerist/tests/__init__.py sha256=q519QkGD6ckfERSILBGEpDB80bTb3jpshEUxotKfxC4 186
polymerist/tests/test_polymerist.py sha256=C6vdX_umow4wkXq_etNmxS8m2F2GWTL02uwtvIUvCaQ 388
polymerist/tests/analysis/__init__.py sha256=ewvHRxlxBiCMZe_jIvyB2W2cB-t0GSy-wYeKj2cDgZI 113
polymerist/tests/data/__init__.py sha256=u7Gsgr7t3PscLW8rI8drRw-bp6ej4NxPX2q6Y_xshnU 128
polymerist/tests/data/correct_discernment_solution.json sha256=iUq2jfPOWD_5rc5bfun3sz2NO6cYd85kSTA6YD1l8dU 9410
polymerist/tests/data/sample.dat sha256=Gu5jm9s-f-nDa7G1mAN5NAb0WSxMmOsxPwCf5DwR6ig 55
polymerist/tests/data/__pycache__/__init__.cpython-311.pyc sha256=b-dYsz2wSXOXSpT37XPklxEwgvSPdLkIp-8k1qIafkM 344
polymerist/tests/data/dummy_dir/bar.txt sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
polymerist/tests/data/dummy_dir/foo.dat sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
polymerist/tests/data/dummy_dir/subdir1/spam.dat sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
polymerist/tests/data/dummy_dir/subdir1/subdir2/baz.txt sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
polymerist/tests/genutils/__init__.py sha256=0hLrXktEYBLQhB5GE2a2qfFDmH_NOI3-1yAkopIpkQo 113
polymerist/tests/genutils/test_attrs.py sha256=txqxYKvOoVYfko9IeC2IkcnfgFEH9HB29F6FlLyBR9U 3442
polymerist/tests/genutils/decorators/__init__.py sha256=hdNSC5eGPlG2uIZBJjk6-llWcK9t4BdC6Td7WqBAeMc 115
polymerist/tests/genutils/fileutils/__init__.py sha256=A24oKWvAyas203WRO2i6_SOrG_HUB5W7ii2DXTpRY1s 114
polymerist/tests/genutils/fileutils/test_filetree.py sha256=PAM_Bd8M06GNa0R-20l3mbcJNF51ixmYEVrkilR7BW8 2562
polymerist/tests/genutils/fileutils/jsonio/__init__.py sha256=PY6iUTWi1YHBEv6kKFLi8oYV-X-FrO5ndeMBq553MUI 111
polymerist/tests/genutils/importutils/__init__.py sha256=f6OD1XLObxLW3g97yupWhJ8U0Mwnt280kxmEfSIG7yk 116
polymerist/tests/genutils/importutils/test_dependencies.py sha256=YgCRFB4kiEdcInM4Vf8nQxJ4WrQ8UXDBcLWScqPo5ck 2874
polymerist/tests/genutils/importutils/test_pkginspect.py sha256=0sJJtcCk5niKjU1q-TM7xLa73GLpz0d2TzKx_O1_KGM 5705
polymerist/tests/genutils/logutils/__init__.py sha256=FDWevnb9GyoC2hi_VAUr7UkTRrYqDV29pkx_Fjfu_As 113
polymerist/tests/genutils/sequences/__init__.py sha256=X-3TAHH_yfIrDLbTK4-k-Htv5SBrxhsaJHA9YQAsjPU 114
polymerist/tests/genutils/sequences/discernment/__init__.py sha256=L-28UINdMAxnsizkZpiLbGYnyoROnheWImfxrDG08K8 116
polymerist/tests/genutils/sequences/discernment/test_discernment.py sha256=_ZlTf0c06O8SRrxY8tuNiUxytahDm4JvF7MzC_qSjSY 4410
polymerist/tests/genutils/sequences/similarity/__init__.py sha256=wvPNRU8M5HBjONSNmJBiC0QuJt9uGQe5GHPpCXIr0FE 115
polymerist/tests/genutils/textual/__init__.py sha256=-4bQitC_LbSf94rG6AsgjvkKzja-CNWPkeDEOc6B80E 112
polymerist/tests/genutils/textual/test_substrings.py sha256=L-OQUH4D8I76gsyuRSZs4Jq9pfDz3jFooOVMsKWE2fc 3404
polymerist/tests/genutils/trees/__init__.py sha256=SAdZv7JehGkly2coyHLDAKO_yak946NWYxoiCqYwmpU 110
polymerist/tests/genutils/trees/test_trees.py sha256=vDeAR465xqjigTV1o0QazvayphBcKzjbqhPmlCwTa7Y 5425
polymerist/tests/genutils/typetools/__init__.py sha256=yXZg4HUNo6JATpKBOC-7onRZCIm8BupfXaaZ6BQ3rtM 114
polymerist/tests/graphics/__init__.py sha256=9rT-AW2UsFhFTwKogeIquZT0dOD41D4GDi_eFifNUuE 113
polymerist/tests/maths/__init__.py sha256=8eMiR65AcO0_VryNnpeS1OOI0xN1wb8A2I8c22KcECQ 110
polymerist/tests/maths/combinatorics/__init__.py sha256=xfvUW0JZLnORAIvW5wPHdYXrkbtXLni9mX7RPQkII_w 118
polymerist/tests/maths/fractions/__init__.py sha256=gFan9XVX_3fCe-qR6fUPw5z3TjaGAGw5cpNhKk128Ro 114
polymerist/tests/maths/greek/__init__.py sha256=CK6HNTtS9ymmqpwLR9NQVzYMIE8khr83wsabOQ8JmjM 110
polymerist/tests/maths/lattices/__init__.py sha256=aGWkQjO381PbBYdHfTVcL5TEy6XiLkNf8eeuIXAxB0E 113
polymerist/tests/maths/linearalg/__init__.py sha256=mevqy8kDizQnJZ515eP6ePfZP4yZ7ZJbrMp9NufyItc 114
polymerist/tests/maths/numbersys/__init__.py sha256=l8xFvVfQ8xe_wpW3HS4WF149TYVb9qlxiGbyyS2B_20 114
polymerist/tests/mdtools/__init__.py sha256=LrOnHplT98mQMF3Oenib-BUWqc5YmgN98QowRuQ4yvA 112
polymerist/tests/mdtools/lammpstools/__init__.py sha256=aGprfO12V7ohXU5iRkWKB5jqUdYW3ZjTVUT2AOxLgIg 116
polymerist/tests/mdtools/openfftools/__init__.py sha256=LnsXuxBiL8WplgQkkKVeaImGMozGI49N6BhgxHlO3yM 116
polymerist/tests/mdtools/openfftools/omminter/__init__.py sha256=mli0laThh2zjpSNjKWn78cmm4l-1RvSsBQcPwpkmLwc 113
polymerist/tests/mdtools/openfftools/partialcharge/__init__.py sha256=DOCzHD2H74Is3pJPq-4nWMcI6l4-4HxUqBRZto_Jmso 118
polymerist/tests/mdtools/openfftools/partialcharge/test_molchargers.py sha256=4fYTWxFbC4otcU9ZUT2a3xpwsEauEPNOf0M9jGKF3Uw 3869
polymerist/tests/mdtools/openfftools/partialcharge/rescharge/__init__.py sha256=nVIbZJEz1OVGxOHNSDYyHrV5NGAJD9HkkE1dqNkEmAE 114
polymerist/tests/mdtools/openfftools/solvation/__init__.py sha256=VQWH19agTEQ3cN7abrzT2YqCFL5G7mCnjYtMIwBQe-8 114
polymerist/tests/mdtools/openfftools/solvation/solvents/__init__.py sha256=p7539l30U3CHYxxmtEZNpUTi6kWlJAjF6Wbq4ysYG0k 113
polymerist/tests/mdtools/openmmtools/__init__.py sha256=-C9tE08X6_btCtuU_m2D64ujog6pFzvBCYtL1IKlxhk 116
polymerist/tests/molfiles/__init__.py sha256=3Kpl7P7OXhLSpym15jnHPoWs91G-Y9CPiSfEKBH5pZc 113
polymerist/tests/molfiles/test_pdb.py sha256=55jAVIh0qAylNd7xrCmFfAK0zF6udnWIQtTLnyE11_k 2938
polymerist/tests/polymers/__init__.py sha256=8T1UyE5vSyczZweZTU4K-CJ7YyYtSLLL89DDKRpA014 113
polymerist/tests/polymers/building/__init__.py sha256=fvuQTwdS0R_SgWK9Gr7eeLhNcS3E5Gh_XOvN0QApbYc 112
polymerist/tests/polymers/building/test_linear.py sha256=ZKLnc5jimhIqyoyK4hKC6MT3JXoUKQsQGgPwgtYvTOA 6630
polymerist/tests/polymers/building/test_sequencing.py sha256=6H5Yug2t5AtyQI-iMv6i72RmfK_RrSm8kHmx49rEkRc 4942
polymerist/tests/polymers/monomers/__init__.py sha256=8l_F0s9bXg-MBbRLRir_FRgQJ3_d7OVhsxuSOfEQ7ZY 113
polymerist/tests/polymers/monomers/test_repr.py sha256=Ays9EhDuKHiAh4Hm7W2N2Jl2coBD7aF-4feWeZ31IOk 8392
polymerist/tests/polymers/smidgelib/__init__.py sha256=aggZl8to0J34zXx5kjL8WIzRFvWgmdZBvU7zK2o87LA 114
polymerist/tests/rdutils/__init__.py sha256=9gt-NNQYr4JNK-Mdx1SvbG1QV5PcZ9QE_RMeEcaZK4A 112
polymerist/tests/rdutils/bonding/__init__.py sha256=Ce4SA1Ye1thaCjh8Y6GtNL0dqF1MzFK1gbcmdYwto1g 112
polymerist/tests/rdutils/labeling/__init__.py sha256=886CuD6UD6QeeqdbkndbgOeEMzlNo5wNeCycrcDKzxk 113
polymerist/tests/rdutils/rdcoords/__init__.py sha256=uU6c5lX7CstLsXl0V9b0XMFCKZnDI_VA5zI2SR-AsZQ 113
polymerist/tests/rdutils/reactions/__init__.py sha256=c-4x5bryzCL3lzizC8l9DzdGgPCutAFYOWqXsyCfFU0 114
polymerist/tests/smileslib/__init__.py sha256=65bxFuG4tzUEkDmZzZgOoTzXPGVkNTb6alF-zui5368 114
polymerist/tests/smileslib/test_chemdbqueries.py sha256=ay3yLR9d7nxxFLcVuTLYHD1eSnFKH4leXkER03bPWF0 10843
polymerist/tests/smileslib/functgroups/__init__.py sha256=qK9E6gMjUBmwEYMuydZrDpHOmUpyF9WzgN7vchI-4nY 116
polymerist/tests/unitutils/__init__.py sha256=tttmouz3VBza-S0r3ftUZZ_LLiCP0pzqd7f9KhWUrRA 114
polymerist/tests/unitutils/test_dimensions.py sha256=T0zzGoO4fFIjBa1DoQ8WbHg3QRAtPxHFVmtt7VGW_Cw 3939
polymerist/unitutils/__init__.py sha256=YlDBl6j1kqvIy7tPqB3wt-_-2M1C51vqf_akHxsWdwM 151
polymerist/unitutils/dimensions.py sha256=1ZVyq7N60Gz_ipc9sh1t2rccE9WFoMeE0WIbJK-zdKU 3011
polymerist/unitutils/extraunits.py sha256=6TbEi6uzv0djxeUcQCT-ROch2-GD2bRI9cU8HdY2osU 3349
polymerist/unitutils/physconsts.py sha256=8P3oNH78QhWYosrQQxFJiwKE1lk12S-BiqwULVkNnDA 1990
polymerist/unitutils/unitstr.py sha256=0P50E2zCGCdxgDBvIa5qDpoyp6Vq4p8RfT8Fnfn8qfk 1668
polymerist-0.1.5rc1.dist-info/LICENSE sha256=9BPLcpy9yikmGRTh886BA-YeBXlOStJTFHeow_xCLVY 1072
polymerist-0.1.5rc1.dist-info/METADATA sha256=gatpuXlszz9NANP5XLWN7hmodtaCq49jTlin42PNQE4 10632
polymerist-0.1.5rc1.dist-info/WHEEL sha256=In9FTNxeP60KnTkGw7wk6mJPYd_dQSjEZmXdBdMCI-8 91
polymerist-0.1.5rc1.dist-info/top_level.txt sha256=iSox4IfL-xh7XaCln7zG_FkFxxJyyLvFvTLdCCxJdYM 11
polymerist-0.1.5rc1.dist-info/RECORD — —

top_level.txt

polymerist