pyjess 0.6.0__pp39-pypy39_pp73-win_amd64.whl → 0.7.0__pp39-pypy39_pp73-win_amd64.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (21) hide show
  1. pyjess/__main__.py +4 -0
  2. pyjess/_jess.pyi +52 -9
  3. pyjess/_jess.pypy39-pp73-win_amd64.pyd +0 -0
  4. pyjess/_jess.pyx +830 -101
  5. pyjess/cli.py +281 -0
  6. pyjess/tests/__init__.py +2 -0
  7. pyjess/tests/data/1AMY.cif +6259 -0
  8. pyjess/tests/data/1sur.qry +26 -0
  9. pyjess/tests/data/4.1.2.tpl +23 -0
  10. pyjess/tests/data/5ayx.EF.pdb +63 -0
  11. pyjess/tests/test_doctest.py +78 -0
  12. pyjess/tests/test_hit.py +26 -2
  13. pyjess/tests/test_jess.py +62 -1
  14. pyjess/tests/test_molecule.py +146 -0
  15. pyjess/tests/test_template.py +10 -1
  16. {pyjess-0.6.0.dist-info → pyjess-0.7.0.dist-info}/METADATA +59 -16
  17. pyjess-0.7.0.dist-info/RECORD +34 -0
  18. pyjess-0.7.0.dist-info/entry_points.txt +3 -0
  19. pyjess-0.6.0.dist-info/RECORD +0 -26
  20. {pyjess-0.6.0.dist-info → pyjess-0.7.0.dist-info}/WHEEL +0 -0
  21. {pyjess-0.6.0.dist-info → pyjess-0.7.0.dist-info}/licenses/COPYING +0 -0
pyjess-0.7.0.dist-info/RECORD ADDED
@@ -0,0 +1,34 @@
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+ pyjess/.gitignore,sha256=u14v4OOy8U50Kp9SUKU8DupCG-mQIuel47gdbNDmAwg,21
2
+ pyjess/__init__.py,sha256=Xe9GBQUBm9ik-ty5tcE3UQ9Ip1p-C_IGvTPuGULolng,766
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+ pyjess/__main__.py,sha256=Kc823UjDqgAMU6YJdDwfNlEPWjpX_94QXgCBlLMnUMo,53
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+ pyjess/_jess.pyi,sha256=jLNw73JPngD1fxSZeIUzf1kTEBLr89kncqoUilnZYXQ,8588
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+ pyjess/_jess.pypy39-pp73-win_amd64.pyd,sha256=eDzwmQUVBnicPxNzh58p8WPaNOdSabrggMdGJ_MHM6M,361984
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+ pyjess/_jess.pyx,sha256=XprzJKRlaEjtXCW7dODOYRjPy5DELKd-TB1DluNfKXM,82944
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+ pyjess/cli.py,sha256=82qa2vDMWVqmAScPYxGS3-5bEFuqBDAmuQ6M-9WQsLA,9211
8
+ pyjess/CMakeLists.txt,sha256=H9eXbrFcGF2OLP8muQctb4cOb27Qp2uZj5KRjoDAROg,36
9
+ pyjess/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
10
+ pyjess/tests/__init__.py,sha256=skiwVtim1nISOYY4xkYAGI7rPaDnLORczkT1q-Fh6zI,698
11
+ pyjess/tests/data/1.3.3.tpl,sha256=gleyiSSHAVJbRJaK8Nlh9setsj6EI38Sr1XU5OEduQE,1011
12
+ pyjess/tests/data/1AMY+1.3.3.txt,sha256=Wyq9Eh9QVaOPH_jsZ6iF9WYhFdTGESqOzjfX14-0gAo,105456
13
+ pyjess/tests/data/1AMY.cif,sha256=tMIth9gw8l4OV8QfAvDKEcG2MyPEjN8NAegX0r-3G8M,399887
14
+ pyjess/tests/data/1AMY.pdb,sha256=fIbowuYS46hQh82xBtVaIPC50o7U08CnHNcnq4nM944,323162
15
+ pyjess/tests/data/1sur.qry,sha256=zMXtVv3Ja2CbYJ91sWFmZfs_BFaqpTcoOszbWuqNzIE,1184
16
+ pyjess/tests/data/4.1.2.tpl,sha256=Gl6DiCuAItfslhezN06tghrdE7-t4f4Ck87yVfpFoIE,1077
17
+ pyjess/tests/data/5ayx.EF.pdb,sha256=jNRuux9oX3Cy-hIGPqDigjP9he9n0fm50DcZkhG9YQU,5222
18
+ pyjess/tests/data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
19
+ pyjess/tests/data/pdb1lnb.pdb,sha256=F8A6OdRly5c-pxsDw1LjTFINI75r1HaKaYB_eXv1QuM,273388
20
+ pyjess/tests/data/template_01.qry,sha256=izCIhUUTEk-IvQowhSVLiJaCAhpPbyvrfyoR4Q6-Pm0,616
21
+ pyjess/tests/data/template_02.qry,sha256=5IYRTqsvO_roB2INLwfFDEaWJW9VRcXdbK4oe8VKMxE,618
22
+ pyjess/tests/test_atom.py,sha256=clLN9IVuivadztGtagDhdPBDGoMkUgs41lEWuTCCmFA,4741
23
+ pyjess/tests/test_doctest.py,sha256=Z46WI6d2rvRoShOGQFZM_9zAzzgBqPlOaozpFu8bvDM,2632
24
+ pyjess/tests/test_hit.py,sha256=3z1JgGI87w_77Rdk_zrG2zA9M1n8u9L-XtTU3HtpSaY,2468
25
+ pyjess/tests/test_jess.py,sha256=E6j27Y3N9Da19YL30QFVCwREUO9fID2HH75zWMn2V5Y,17669
26
+ pyjess/tests/test_molecule.py,sha256=vn2539meiT1khDRp-_pDUAute9C7alrQ9SOqFLpb3Js,12833
27
+ pyjess/tests/test_template.py,sha256=jnFTegP6_llNvp8f965yXt_v55JSrIh6-tNpE6UbHe8,5026
28
+ pyjess/tests/test_template_atom.py,sha256=oK8cfKe4_k3Pm1PqoTTxTzAoeUVLiCFsg6QmiTQ-RCQ,3496
29
+ pyjess/tests/utils.py,sha256=Z7rUPC-D8dZlRfHAnLaXHUg6M10D3zFvNiwDvvHA3xc,202
30
+ pyjess-0.7.0.dist-info/METADATA,sha256=5dzLVyfgSMsKIpC5os1TXVIGZIAw7yAKGLurBegAC3M,14276
31
+ pyjess-0.7.0.dist-info/WHEEL,sha256=k0WUL95hfPxp-oNxWWxpwaSfyWqqHRsPPz7teFk1VMg,111
32
+ pyjess-0.7.0.dist-info/entry_points.txt,sha256=5dgYfglg8P5hPTIyrKAnOBmYqs2GRR0kb6x0BncaHbA,44
33
+ pyjess-0.7.0.dist-info/licenses/COPYING,sha256=Iyx2bRDPnLgoEzW2KVanb61cjhW8lnhJNU-mjS-KhIY,1124
34
+ pyjess-0.7.0.dist-info/RECORD,,
pyjess-0.7.0.dist-info/entry_points.txt ADDED
@@ -0,0 +1,3 @@
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+ [console_scripts]
2
+ pyjess = pyjess.cli:main
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+
pyjess-0.6.0.dist-info/RECORD DELETED
@@ -1,26 +0,0 @@
1
- pyjess/.gitignore,sha256=u14v4OOy8U50Kp9SUKU8DupCG-mQIuel47gdbNDmAwg,21
2
- pyjess/__init__.py,sha256=Xe9GBQUBm9ik-ty5tcE3UQ9Ip1p-C_IGvTPuGULolng,766
3
- pyjess/_jess.pyi,sha256=DhMqsGNzGUICu08CSTXsDXK8hOWw6Mu3y7KZ_X2wv20,7270
4
- pyjess/_jess.pypy39-pp73-win_amd64.pyd,sha256=ewPsTjarrHl_5xZ1ooC1VpXPtkOFmhqGqcHC-CPNTo8,257536
5
- pyjess/_jess.pyx,sha256=YCma_4lqdwoJ-1nfExAkQWNuisztDeoRiU54AdGiJ8E,54649
6
- pyjess/CMakeLists.txt,sha256=H9eXbrFcGF2OLP8muQctb4cOb27Qp2uZj5KRjoDAROg,36
7
- pyjess/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
8
- pyjess/tests/__init__.py,sha256=J7rYASCuQsCu5gktf5XqjNxJoBkBqxbREAiaSOta5xE,617
9
- pyjess/tests/data/1.3.3.tpl,sha256=gleyiSSHAVJbRJaK8Nlh9setsj6EI38Sr1XU5OEduQE,1011
10
- pyjess/tests/data/1AMY+1.3.3.txt,sha256=Wyq9Eh9QVaOPH_jsZ6iF9WYhFdTGESqOzjfX14-0gAo,105456
11
- pyjess/tests/data/1AMY.pdb,sha256=fIbowuYS46hQh82xBtVaIPC50o7U08CnHNcnq4nM944,323162
12
- pyjess/tests/data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
13
- pyjess/tests/data/pdb1lnb.pdb,sha256=F8A6OdRly5c-pxsDw1LjTFINI75r1HaKaYB_eXv1QuM,273388
14
- pyjess/tests/data/template_01.qry,sha256=izCIhUUTEk-IvQowhSVLiJaCAhpPbyvrfyoR4Q6-Pm0,616
15
- pyjess/tests/data/template_02.qry,sha256=5IYRTqsvO_roB2INLwfFDEaWJW9VRcXdbK4oe8VKMxE,618
16
- pyjess/tests/test_atom.py,sha256=clLN9IVuivadztGtagDhdPBDGoMkUgs41lEWuTCCmFA,4741
17
- pyjess/tests/test_hit.py,sha256=3p7MkvZL84e-tSbVlMSXHbO1yCZkaLIMD2e09occw1A,1244
18
- pyjess/tests/test_jess.py,sha256=s5oBf5s4YvoF15KK5YcUzlx0NiO1vT40u53wBahZH1w,15023
19
- pyjess/tests/test_molecule.py,sha256=9k6uiTeOWc5NiO7epyxY9lm_GgksPb7-o-ZcNFNxutw,5452
20
- pyjess/tests/test_template.py,sha256=AIN-ba5-YTnGdT9SGPU4q45AZ03QnPE769WyItSpoPs,4657
21
- pyjess/tests/test_template_atom.py,sha256=oK8cfKe4_k3Pm1PqoTTxTzAoeUVLiCFsg6QmiTQ-RCQ,3496
22
- pyjess/tests/utils.py,sha256=Z7rUPC-D8dZlRfHAnLaXHUg6M10D3zFvNiwDvvHA3xc,202
23
- pyjess-0.6.0.dist-info/METADATA,sha256=OG5zbwpmxVLSmlQQ6xvyicRYKB6JrLBkDa-zhmWa6js,12882
24
- pyjess-0.6.0.dist-info/WHEEL,sha256=k0WUL95hfPxp-oNxWWxpwaSfyWqqHRsPPz7teFk1VMg,111
25
- pyjess-0.6.0.dist-info/licenses/COPYING,sha256=Iyx2bRDPnLgoEzW2KVanb61cjhW8lnhJNU-mjS-KhIY,1124
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- pyjess-0.6.0.dist-info/RECORD,,
{pyjess-0.6.0.dist-info → pyjess-0.7.0.dist-info}/WHEEL RENAMED
File without changes