wwpdb.apps.ccmodule 0.29__tar.gz → 0.29.2__tar.gz

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Files changed (58) hide show
  1. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/PKG-INFO +1 -1
  2. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/__init__.py +1 -1
  3. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/chem/ChemCompAssignDepict.py +8 -1
  4. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb.apps.ccmodule.egg-info/PKG-INFO +1 -1
  5. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/README.md +0 -0
  6. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/setup.cfg +0 -0
  7. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/setup.py +0 -0
  8. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/__init__.py +0 -0
  9. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/__init__.py +0 -0
  10. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/chem/ChemCompAnnotate.py +0 -0
  11. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/chem/ChemCompAssign.py +0 -0
  12. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/chem/ChemCompAssignDepictLite.py +0 -0
  13. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/chem/PdbxChemCompAssign.py +0 -0
  14. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/chem/__init__.py +0 -0
  15. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/depict/ChemCompDepict.py +0 -0
  16. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/depict/__init__.py +0 -0
  17. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/extract/__init__.py +0 -0
  18. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/extract/ccOps.py +0 -0
  19. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/io/ChemCompAssignDataStore.py +0 -0
  20. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/io/ChemCompDataExport.py +0 -0
  21. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/io/ChemCompDataImport.py +0 -0
  22. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/io/ChemCompEditStore.py +0 -0
  23. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/io/ChemCompIo.py +0 -0
  24. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/io/__init__.py +0 -0
  25. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/reports/ChemCompAlignImageGenerator.py +0 -0
  26. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/reports/ChemCompAlignImages.py +0 -0
  27. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/reports/ChemCompBigAlignImages.py +0 -0
  28. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/reports/ChemCompGenImage.py +0 -0
  29. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/reports/ChemCompReports.py +0 -0
  30. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/reports/InstanceDataGenerator.py +0 -0
  31. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/reports/__init__.py +0 -0
  32. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/search/ChemCompSearch.py +0 -0
  33. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/search/ChemCompSearchDb.py +0 -0
  34. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/search/ChemCompSearchDbDepict.py +0 -0
  35. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/search/ChemCompSearchDepict.py +0 -0
  36. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/search/DbSession.py +0 -0
  37. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/search/__init__.py +0 -0
  38. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/sketch/ChemCompSketch.py +0 -0
  39. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/sketch/ChemCompSketchDepict.py +0 -0
  40. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/sketch/__init__.py +0 -0
  41. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/utils/ChemCompConfig.py +0 -0
  42. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/utils/ChemCompDpUtility.py +0 -0
  43. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/utils/ChemCompWFInterface.py +0 -0
  44. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/utils/Exceptions.py +0 -0
  45. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/utils/LigandAnalysisState.py +0 -0
  46. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/utils/__init__.py +0 -0
  47. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/view/ChemCompView.py +0 -0
  48. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/view/ChemCompViewDepict.py +0 -0
  49. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/view/__init__.py +0 -0
  50. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/webapp/ChemCompWebApp.py +0 -0
  51. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/webapp/ChemCompWebAppLite.py +0 -0
  52. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/webapp/__init__.py +0 -0
  53. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb/apps/ccmodule/webapp/wsgi.py +0 -0
  54. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb.apps.ccmodule.egg-info/SOURCES.txt +0 -0
  55. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb.apps.ccmodule.egg-info/dependency_links.txt +0 -0
  56. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb.apps.ccmodule.egg-info/not-zip-safe +0 -0
  57. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb.apps.ccmodule.egg-info/requires.txt +0 -0
  58. {wwpdb.apps.ccmodule-0.29 → wwpdb_apps_ccmodule-0.29.2}/wwpdb.apps.ccmodule.egg-info/top_level.txt +0 -0
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: wwpdb.apps.ccmodule
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- Version: 0.29
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+ Version: 0.29.2
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  Summary: wwPDB workflow engine utils
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  Home-page: https://github.com/rcsb/py-wwpdb_apps_wf_engine_utils
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  Author: Ezra Peisach
@@ -3,4 +3,4 @@ __docformat__ = "restructuredtext en"
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  __author__ = "Ezra Peisach"
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  __email__ = "ezra.peisach@rcsb.org"
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  __license__ = "Apache 2.0"
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- __version__ = "0.29"
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+ __version__ = "0.29.2"
@@ -317,7 +317,8 @@ class ChemCompAssignDepict(ChemCompDepict):
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  cmpstScore = scorePrefix + str(p_ccAssgnDataStr.getBatchBestHitScore(instId)) + scoreSuffix
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  #
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  origMasterDpstrCcid = p_ccAssgnDataStr.getDpstrOrigCcIdMaster(instId)
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- loiStatus = '✔' if (origMasterDpstrCcid in rsrchGrpIdsLst) else ''
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+ authDpstrCcid = p_ccAssgnDataStr.getAuthAssignment(instId)
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+ loiStatus = '✔' if (origMasterDpstrCcid in rsrchGrpIdsLst) or (authDpstrCcid in rsrchGrpIdsLst) else ''
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  #
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  oL.append('<tr class="%s c_%s c_%s">' % (self.__rowClass(iRow), instId, authAssgndId))
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  #
@@ -592,6 +593,7 @@ class ChemCompAssignDepict(ChemCompDepict):
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  # ## dpstr info handling ###
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  lclDict['display_dpstr_info'] = "displaynone"
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  lclDict['display_dscrptr_vw_btn'] = "displaynone"
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+ lclDict['display_dscrptr_error'] = "displaynone"
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  naStr = "n/a"
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  #
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  for keyName in self.__dpstrInfoKeyList:
@@ -1334,6 +1336,7 @@ class ChemCompAssignDepict(ChemCompDepict):
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  # ## dpstr info handling ###
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  lclDict['display_dpstr_info'] = "displaynone"
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  lclDict['display_dscrptr_vw_btn'] = "displaynone"
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+ lclDict['display_dscrptr_error'] = "displaynone"
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  naStr = "n/a"
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  #
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  for keyName in self.__dpstrInfoKeyList:
@@ -1422,11 +1425,13 @@ class ChemCompAssignDepict(ChemCompDepict):
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  (className, methodName, toLclSessnImgPth, chemCompDescriptorType.upper(), chemCompDescriptor))
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  p_strReplDict['display_dscrptr_vw_btn'] = ""
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+ p_strReplDict['display_dscrptr_error'] = "displaynone"
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  p_strReplDict['dpstr_info_dscrptr_img_pth'] = os.path.join(self.rltvAssgnSessionPath, fileName)
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  else:
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  # problem with importing SMILES string
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  p_strReplDict['display_dscrptr_vw_btn'] = "displaynone"
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+ p_strReplDict['display_dscrptr_error'] = ""
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  p_strReplDict['dpstr_info_dscrptr_img_pth'] = ""
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  if self.__verbose:
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  self.__lfh.write("+%s.%s() - Failed to generate image file [%s] from %s string [%s].\n" %
@@ -1436,6 +1441,7 @@ class ChemCompAssignDepict(ChemCompDepict):
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  except: # noqa: E722 pylint: disable=bare-except
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  # problem with importing SMILES string
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  p_strReplDict['display_dscrptr_vw_btn'] = "displaynone"
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+ p_strReplDict['display_dscrptr_error'] = ""
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  p_strReplDict['dpstr_info_dscrptr_img_pth'] = ""
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  if self.__verbose:
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  self.__lfh.write("+%s.%s() - Failed to generate image file [%s] from %s string [%s].\n" %
@@ -1444,6 +1450,7 @@ class ChemCompAssignDepict(ChemCompDepict):
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  #
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  else:
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  p_strReplDict['display_dscrptr_vw_btn'] = "displaynone"
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+ p_strReplDict['display_dscrptr_error'] = "displaynone"
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  p_strReplDict['dpstr_info_dscrptr_img_pth'] = ""
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  if self.__verbose:
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  self.__lfh.write("+%s.%s() - no SMILES string submitted for this ligand ID [%s].\n" % (className, methodName, p_grpId))
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: wwpdb.apps.ccmodule
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- Version: 0.29
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+ Version: 0.29.2
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  Summary: wwPDB workflow engine utils
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  Home-page: https://github.com/rcsb/py-wwpdb_apps_wf_engine_utils
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  Author: Ezra Peisach