MoleditPy 2.2.0a0__py3-none-any.whl → 2.2.0a2__py3-none-any.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 (27) hide show
  1. moleditpy/modules/constants.py +1 -1
  2. moleditpy/modules/main_window_main_init.py +73 -103
  3. moleditpy/modules/main_window_ui_manager.py +21 -2
  4. moleditpy/modules/plugin_manager.py +10 -0
  5. moleditpy/plugins/Analysis/ms_spectrum_neo.py +919 -0
  6. moleditpy/plugins/File/animated_xyz_giffer.py +583 -0
  7. moleditpy/plugins/File/cube_viewer.py +689 -0
  8. moleditpy/plugins/File/gaussian_fchk_freq_analyzer.py +1148 -0
  9. moleditpy/plugins/File/mapped_cube_viewer.py +552 -0
  10. moleditpy/plugins/File/orca_out_freq_analyzer.py +1226 -0
  11. moleditpy/plugins/File/paste_xyz.py +336 -0
  12. moleditpy/plugins/Input Generator/gaussian_input_generator_neo.py +930 -0
  13. moleditpy/plugins/Input Generator/orca_input_generator_neo.py +1028 -0
  14. moleditpy/plugins/Input Generator/orca_xyz2inp_gui.py +286 -0
  15. moleditpy/plugins/Optimization/all-trans_optimizer.py +65 -0
  16. moleditpy/plugins/Optimization/complex_molecule_untangler.py +268 -0
  17. moleditpy/plugins/Optimization/conf_search.py +224 -0
  18. moleditpy/plugins/Utility/atom_colorizer.py +262 -0
  19. moleditpy/plugins/Utility/console.py +163 -0
  20. moleditpy/plugins/Utility/pubchem_ressolver.py +244 -0
  21. moleditpy/plugins/Utility/vdw_radii_overlay.py +432 -0
  22. {moleditpy-2.2.0a0.dist-info → moleditpy-2.2.0a2.dist-info}/METADATA +1 -1
  23. {moleditpy-2.2.0a0.dist-info → moleditpy-2.2.0a2.dist-info}/RECORD +27 -10
  24. {moleditpy-2.2.0a0.dist-info → moleditpy-2.2.0a2.dist-info}/WHEEL +0 -0
  25. {moleditpy-2.2.0a0.dist-info → moleditpy-2.2.0a2.dist-info}/entry_points.txt +0 -0
  26. {moleditpy-2.2.0a0.dist-info → moleditpy-2.2.0a2.dist-info}/licenses/LICENSE +0 -0
  27. {moleditpy-2.2.0a0.dist-info → moleditpy-2.2.0a2.dist-info}/top_level.txt +0 -0
{moleditpy-2.2.0a0.dist-info → moleditpy-2.2.0a2.dist-info}/RECORD RENAMED
@@ -12,7 +12,7 @@ moleditpy/modules/bond_item.py,sha256=eVkEeKvM4igYI67DYxpey3FllqDyt_iWDo4VPYMhaP
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  moleditpy/modules/bond_length_dialog.py,sha256=k5x_DhK9Q8CSwouKhEo_kLRRdaYHDaK84KDNmuDNLvY,14868
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  moleditpy/modules/calculation_worker.py,sha256=KiGQY7i-QCQofEoE0r65KoQgpEGFcbhmxWv6egfkUdc,42324
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  moleditpy/modules/color_settings_dialog.py,sha256=Ow44BhCOLo0AFb6klO001k6B4drOgKX9DeNBQhZLp5o,15474
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- moleditpy/modules/constants.py,sha256=6HptVW41_PUUuwc0jeOi5L0fRM7EARkE__J18Cmv-RM,4704
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+ moleditpy/modules/constants.py,sha256=7m9mLA8eKnYh2PPXu5pXMtRndPdZVQdSej_WjMGpsrI,4704
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  moleditpy/modules/constrained_optimization_dialog.py,sha256=IEdNVhFoNSEMeA5ABpUH9Q88-YzDXFloQM2gwnPwnHY,30150
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  moleditpy/modules/custom_interactor_style.py,sha256=NjsXE2a43IDNEanZBlcG9eR4ZIERT1MsQC6lbfesapQ,38453
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  moleditpy/modules/custom_qt_interactor.py,sha256=MFaTuDh-FPeFBS4303CqxsxmsOIOW4QXUz6USwI8PHQ,2451
@@ -25,11 +25,11 @@ moleditpy/modules/main_window_dialog_manager.py,sha256=S1ROCWqzB2uVSKHY4o5CbTtJA
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  moleditpy/modules/main_window_edit_3d.py,sha256=uY203adPg3CLyAdbG2NCThG2Am0WduzPDan9rXAlc14,19841
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  moleditpy/modules/main_window_edit_actions.py,sha256=lUFxNFTUQzeXN8CNlb4_4S9j4M1EEq8kpJmh9dCzM3M,64818
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  moleditpy/modules/main_window_export.py,sha256=e0HA_jeaokIOBunQqGxUn5QKdniCmE8GrsE1Igy6zm8,38351
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- moleditpy/modules/main_window_main_init.py,sha256=sRDrzGCenF2e0bb_mSVwf84nduqmuR6jGzzY7Sp9q6c,90311
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+ moleditpy/modules/main_window_main_init.py,sha256=2MWBLY_u4UoSC4orjhDh1WcfR8FoWEnhR9ibUeA_fnE,88438
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  moleditpy/modules/main_window_molecular_parsers.py,sha256=Ex4-urYsKf6PyHp4XToOhgXzuYWa_n7q--QmHci4OCU,48401
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  moleditpy/modules/main_window_project_io.py,sha256=q1vEmWQDqla32HVkmk8-j0OY9ut5TI5NJ4ikahewkEo,17259
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  moleditpy/modules/main_window_string_importers.py,sha256=mQVDv2Dj4MwnPgMRe2IqdAAKnB_quE6QfYeAgCjfv28,10892
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- moleditpy/modules/main_window_ui_manager.py,sha256=dqnBzvYZdE5Da6x4IAeGYSgwHp4EUO13THudf2hUePo,22843
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+ moleditpy/modules/main_window_ui_manager.py,sha256=HofI6T9EvcSSzPbsdPqkYEEDoB6Hui1Uj2Ll-wwczGA,24016
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  moleditpy/modules/main_window_view_3d.py,sha256=TKRerktpCTYxX9HU-dSOnIhx4OyZaVrRYj4pEOUXmGc,74088
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  moleditpy/modules/main_window_view_loaders.py,sha256=Dbdgv4TY_ZkX8Qyaevwr-mBJYJ59CBzRTEks-U1FiGw,14462
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  moleditpy/modules/mirror_dialog.py,sha256=c3v4qY6R4FAljzk4EPaDjL9ZdZMjLQSFLqDMXz2fBUk,4696
@@ -39,7 +39,7 @@ moleditpy/modules/move_group_dialog.py,sha256=65HVXTJSaQ9lp03XFhI1l7OzUsXmH_aqd8
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  moleditpy/modules/periodic_table_dialog.py,sha256=ItEZUts1XCietz9paY-spvbzxh6SXak3GnikwqkHZCw,4006
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  moleditpy/modules/planarize_dialog.py,sha256=yY8o-SxT8vGEHVWnjDTXecRv5NUaEejEsXH-836Xk8g,8681
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  moleditpy/modules/plugin_interface.py,sha256=54zMHkjf9TCyXyAqYeYvnG-R4mWhTaSZ8oIQt3lHqvQ,8082
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- moleditpy/modules/plugin_manager.py,sha256=bhQ5Biwug1M1dBFE8l0onH6OKYdFf4tBMwyuZKoOaZI,13243
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+ moleditpy/modules/plugin_manager.py,sha256=ghIKOBsWlTmzsQJXtncH9nyfQJUF_dwBOKrU4iBlNo0,13576
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  moleditpy/modules/plugin_manager_window.py,sha256=m2lJ-UltwoXQ2SYA1im6Q0v-5SfqWL2HcOBCTzUmiBw,9963
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  moleditpy/modules/settings_dialog.py,sha256=Nr7yE8UmYRi3VObWvRlrnv0DnjSjmYXbvqryZ02O12k,65348
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  moleditpy/modules/template_preview_item.py,sha256=djdq3tz73d_fJGOvai3E-V9Hk9q9ZW7skx7BV59mooA,6556
@@ -50,9 +50,26 @@ moleditpy/modules/zoomable_view.py,sha256=hjwljui13QpvjvxJHY4Evot4jMQvxRBQUNH5HU
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  moleditpy/modules/assets/icon.icns,sha256=wD5R6-Vw7K662tVKhu2E1ImN0oUuyAP4youesEQsn9c,139863
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  moleditpy/modules/assets/icon.ico,sha256=RfgFcx7-dHY_2STdsOQCQziY5SNhDr3gPnjO6jzEDPI,147975
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  moleditpy/modules/assets/icon.png,sha256=kCFN1WacYIdy0GN6SFEbNA00ef39pCczBnFdkkBI8Bs,147110
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- moleditpy-2.2.0a0.dist-info/licenses/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
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- moleditpy-2.2.0a0.dist-info/METADATA,sha256=3GgjhoFXb5wzlOyGD_uu-BxSbALiAUKDI7jQcUtJLEk,59277
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- moleditpy-2.2.0a0.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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- moleditpy-2.2.0a0.dist-info/entry_points.txt,sha256=yH1h9JjALhok1foXT3-hYrC4ufoZt8b7oiBcsdnGNNM,54
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- moleditpy-2.2.0a0.dist-info/top_level.txt,sha256=ARICrS4ihlPXqywlKl6o-oJa3Qz3gZRWu_VZsQ3_c44,10
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- moleditpy-2.2.0a0.dist-info/RECORD,,
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+ moleditpy/plugins/Analysis/ms_spectrum_neo.py,sha256=dmTh48f9to2efOX0-jpQXSQVq7OoKpA_r0U6SScFAV8,35533
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+ moleditpy/plugins/File/animated_xyz_giffer.py,sha256=yCCgl9Gladki7eNJ6j-82dx8SloB6zwuzNvEHRTp2lo,20716
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+ moleditpy/plugins/File/cube_viewer.py,sha256=_An7KX89FIxbCF7WJbbNiZXKZPfC55NCfT7Y-7suxx8,24836
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+ moleditpy/plugins/File/gaussian_fchk_freq_analyzer.py,sha256=tBQs8xQYIPWab26G2tpadoW4rqYcDSuXaR4a3HaFATs,45152
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+ moleditpy/plugins/File/mapped_cube_viewer.py,sha256=tO1hbjXG2xp0pRXmwVBNCO0c0HUu1HU7zIFJ4S7buls,19557
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+ moleditpy/plugins/File/orca_out_freq_analyzer.py,sha256=6opjTpcK3B2XUIPk8fpOKlZ_IjaBCNZAREYOO3OJsuk,48219
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+ moleditpy/plugins/File/paste_xyz.py,sha256=kV-_CMmXLcqMIyFNRAeiwsOECPE64GCizT3hDCNfaXk,15112
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+ moleditpy/plugins/Input Generator/gaussian_input_generator_neo.py,sha256=3EXzxcxmJmgxVF9F-jFOPYJksubUdxZxvmNoUx7DTW4,37769
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+ moleditpy/plugins/Input Generator/orca_input_generator_neo.py,sha256=vqMpwJ9NaUw2SLcSqgIhWpdUaaJjnBvWHc4S0vtA7FI,40013
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+ moleditpy/plugins/Input Generator/orca_xyz2inp_gui.py,sha256=6d6v_UC9s-2bJihGqCX3usIplw-lOUVq96kEBf32S3g,11045
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+ moleditpy/plugins/Optimization/all-trans_optimizer.py,sha256=_7zAnYIRShPquIOFUf8_5N1o0g7iIXKFmcD0Eey8Lac,2532
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+ moleditpy/plugins/Optimization/complex_molecule_untangler.py,sha256=kGJ1nIWdLCcSxmKJOHLhTW4SAQSrESMkKsILeDqKbhA,10837
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+ moleditpy/plugins/Optimization/conf_search.py,sha256=equ6W02Yf2DAYSj1jSNeVrQSYPPpdlNrPDt3lm_Bek8,9110
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+ moleditpy/plugins/Utility/atom_colorizer.py,sha256=BUO-EkIeWwkGE6DtOuXgw0QkDABet_YfNXfpPZFWBlQ,9936
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+ moleditpy/plugins/Utility/console.py,sha256=4_WgDiEHhalDFOLJGmYNRa1odzxdtg46qr9DUz_ht4I,5943
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+ moleditpy/plugins/Utility/pubchem_ressolver.py,sha256=w1Zfm_2LTDhuU6uYKQSSaGpyU36-14kvDssc0L8hsDc,10048
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+ moleditpy/plugins/Utility/vdw_radii_overlay.py,sha256=C7cD82AiJIeaQk12gKjIt0oneJny2fDRAbw-t01vpEg,16533
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+ moleditpy-2.2.0a2.dist-info/licenses/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
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+ moleditpy-2.2.0a2.dist-info/METADATA,sha256=0pjsuxHg7SWfSJWfdNf-0zi2R5j4fbG0s8KSPYWeE3s,59277
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+ moleditpy-2.2.0a2.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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+ moleditpy-2.2.0a2.dist-info/entry_points.txt,sha256=yH1h9JjALhok1foXT3-hYrC4ufoZt8b7oiBcsdnGNNM,54
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+ moleditpy-2.2.0a2.dist-info/top_level.txt,sha256=ARICrS4ihlPXqywlKl6o-oJa3Qz3gZRWu_VZsQ3_c44,10
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+ moleditpy-2.2.0a2.dist-info/RECORD,,