diff --git a/dataproc/api/views/__pycache__/proc_input_view.cpython-38.pyc b/dataproc/api/views/__pycache__/proc_input_view.cpython-38.pyc
index 26b238c6ed0bedc1e8b53c345aa26046bef1ba86..e7c5a9230487bd57d5ff909e480b15aee814ba8d 100644
Binary files a/dataproc/api/views/__pycache__/proc_input_view.cpython-38.pyc and b/dataproc/api/views/__pycache__/proc_input_view.cpython-38.pyc differ
diff --git a/dataproc/api/views/proc_input_view.py b/dataproc/api/views/proc_input_view.py
index 29dfc0488b88d2cd9809646b5fb7084593979e7e..5bd7b3bdeeb5992182ecc1022c9a4e315cae3d6e 100644
--- a/dataproc/api/views/proc_input_view.py
+++ b/dataproc/api/views/proc_input_view.py
@@ -46,7 +46,9 @@ def storeProcInput(request):
# json_data_mtz=json_data['dataprocessing']
try:
- report=storeParseReport(json_data_report)
+ create_or_update_test(node_name=Report, unique_properties_dict={"jobid" : "6e83d158-fd27-494a-aa45-90f0fad00432",
+ "terminationstatus" : "COMPLETED"}, all_properties_dict=None)
+ # report=storeParseReport(json_data_report)
# ligand=storeParseLigand(json_data_ligand, report)
# storeParseRC(json_data_rc, report)
# storeParsePRC(json_data_prc, ligand)
@@ -60,6 +62,47 @@ def storeProcInput(request):
except :
return JsonResponse({"STATUS":"ERROR OCCURRED"}, safe=False)
+# @csrf_exempt
+# def create_or_update_test(node_name, unique_properties_dict, all_properties_dict):
+# logger.info("ACTIVATE FUNCTION")
+
+# keyvaluepair=""
+
+# for keys in unique_properties_dict:
+# logger.info(keys)
+# logger.info(unique_properties_dict[keys])
+
+# keyvaluepair = keyvaluepair + keys + '=' + '\'' + unique_properties_dict[keys] + '\'' + ','
+
+# keyvaluepair=keyvaluepair[:-1]
+# logger.info(keyvaluepair)
+# # exist=Report.nodes.get(jobid="6e83d158-fd27-494a-aa45-90f0fad00432")
+# # logger.info("LOG REPOORT TYPE")
+# # logger.info(type(exist))
+# # test=exist.serialize
+# # logger(test)
+# key='jobid'
+# # val='6e83d158-fd27-494a-aa45-90f0fad00432'
+# all_nodes=Report.nodes
+# logger.info("PRINT ALL NODE")
+# logger.info(type(all_nodes))
+
+# for node in all_nodes:
+# logger.info("PRINT NODE")
+# logger.info(node)
+# # node = node.serialize
+# logger.info("PRINT NODE")
+# logger.info(type(node))
+# logger.info(node.key)
+# if (node[key] == val):
+# exist = node
+# break
+# logger.info("PRINT VALUES")
+# logger.info(keyvaluepair)
+# logger.info(exist)
+
+
+
@csrf_exempt
def storeParseReport(data):
@@ -72,7 +115,6 @@ def storeParseReport(data):
autoprocscaling=data['dataprocessing']['processingdata']['AutoProcscaling']
autoprocscalingstatistics=data['dataprocessing']['processingdata']['AutoProcScalingStatistics']
autoproc=data['dataprocessing']['processingdata']['AutoProc']
- molprobity=data['ligandfitting']['ligands']['1']['validationstatistics']['molprobity']
report=Report(command=GPhL_pipedream['command'],
jsonversion=GPhL_pipedream['jsonversion'],
@@ -81,20 +123,16 @@ def storeParseReport(data):
jobid=GPhL_pipedream['jobid'],
gphlpipedream_output=GPhL_pipedream['output'],
version=GPhL_pipedream['version'],
+ terminationstatus=GPhL_pipedream['terminationstatus'],
- molprobitypercentile=molprobity['molprobitypercentile'],
- ramaoutlierpercent=molprobity['ramaoutlierpercent'],
- cbetadeviations=molprobity['cbetadeviations'],
- ramafavoredpercent=molprobity['ramafavoredpercent'],
- poorrotamers=molprobity['poorrotamers'],
- rmsbonds=molprobity['rmsbonds'],
- rmsangles=molprobity['rmsangles'],
- clashpercentile=molprobity['clashpercentile'],
- poorrotamerspercent=molprobity['poorrotamerspercent'],
- clashscore=molprobity['clashscore'],
- ramafavored=molprobity['ramafavored'],
- molprobityscore=molprobity['molprobityscore'],
- ramaoutliers=molprobity['ramaoutliers'],
+ refinedCell_beta=autoproc['refinedCell_beta'],
+ refinedCell_b=autoproc['refinedCell_b'],
+ wavelength=autoproc['wavelength'],
+ refinedCell_a=autoproc['refinedCell_a'],
+ refinedCell_alpha=autoproc['refinedCell_alpha'],
+ spaceGroup=autoproc['spaceGroup'],
+ refinedCell_c=autoproc['refinedCell_c'],
+ refinedCell_gamma=autoproc['refinedCell_gamma'],
recordTimeStamp=autoprocscaling['recordTimeStamp'],
resolutionEllipsoidAxis13=autoprocscaling['resolutionEllipsoidAxis13'],
@@ -174,18 +212,10 @@ def storeParseReport(data):
overall_meanIOverSigI=autoprocscalingstatistics['overall']['meanIOverSigI'],
overall_anomalousCompletenessSpherical=autoprocscalingstatistics['overall']['anomalousCompletenessSpherical'],
overall_ccAnomalous=autoprocscalingstatistics['overall']['ccAnomalous'],
- overall_rMeasAllIPlusIMinus=autoprocscalingstatistics['overall']['rMeasAllIPlusIMinus'],
-
- refinedCell_beta=autoproc['refinedCell_beta'],
- refinedCell_b=autoproc['refinedCell_b'],
- wavelength=autoproc['wavelength'],
- refinedCell_a=autoproc['refinedCell_a'],
- refinedCell_alpha=autoproc['refinedCell_alpha'],
- spaceGroup=autoproc['spaceGroup'],
- refinedCell_c=autoproc['refinedCell_c'],
- refinedCell_gamma=autoproc['refinedCell_gamma'])
+ overall_rMeasAllIPlusIMinus=autoprocscalingstatistics['overall']['rMeasAllIPlusIMinus'])
report.save()
+ logger.info(type(report))
return report.serialize
except:
@@ -256,8 +286,9 @@ def storeParseRC(data, report):
step=input_rc['step'],
RMSbonds=input_rc['RMSbonds'],
RMSangles=input_rc['RMSangles'],
- R=input_rc['R'])
- # WatersPresent=input_rc['WatersPresent'])
+ R=input_rc['R'],
+ WatersPresent=input_rc['WatersPresent'])
+
rc.save()
rc2=rc.serialize
connectReportRC(report['report_node_properties']['jobid'], rc2['rc_node_properties']['uuid'])
@@ -275,9 +306,25 @@ def storeParseLigand(data, report):
"""
try:
+ # molprobity=data['ligandfitting']['ligands']['1']['validationstatistics']['molprobity']
+
ligand=Ligand(ligand_id=data['id'],
depositioncoordinates=data['postrefinement']['deposition']['depositioncoordinates'],
- depositionreflns=data['postrefinement']['deposition']['depositionreflns'])
+ depositionreflns=data['postrefinement']['deposition']['depositionreflns'],
+ molprobitypercentile=molprobity['molprobitypercentile'],
+ ramaoutlierpercent=molprobity['ramaoutlierpercent'],
+ cbetadeviations=molprobity['cbetadeviations'],
+ ramafavoredpercent=molprobity['ramafavoredpercent'],
+ poorrotamers=molprobity['poorrotamers'],
+ rmsbonds=molprobity['rmsbonds'],
+ rmsangles=molprobity['rmsangles'],
+ clashpercentile=molprobity['clashpercentile'],
+ poorrotamerspercent=molprobity['poorrotamerspercent'],
+ clashscore=molprobity['clashscore'],
+ ramafavored=molprobity['ramafavored'],
+ molprobityscore=molprobity['molprobityscore'],
+ ramaoutliers=molprobity['ramaoutliers'])
+
ligand.save()
ligand2=ligand.serialize
connectReportLigand(report['report_node_properties']['jobid'], ligand2['ligand_node_properties']['uuid'])
@@ -480,9 +527,3 @@ def connectStructureFactorsMTZ(data1, data2):
except:
return JsonResponse({"STATUS": "ERROR OCCURRED WHILE CONNECTING STRUCTURE FACTORS TO MTZ"}, safe=False)
-# def exists(node=None, property=None, value=None):
-# filter_node = (":" + node) if node != None else ''
-# filter_value = ("{" + property + ": '" + value + "'}") if property != None and value != None else ''
-# return cypher_query("MATCH(n" + filter_node + filter_value + ")" + " return count(n) > 0 as exists;" )[0][0][0]
-
-# exists(node='Report')
\ No newline at end of file