@login_required
def details(request,task_id):
task = get_object_or_404(Task, id=task_id)
- return render(request, "details.html",{'task':task})
+ try:
+ remd_models=json.loads(task.remd_models)
+ except:
+ remd_models=[]
+ remd_models.append(task.remd_model1)
+ remd_models.append(task.remd_model2)
+ remd_models.append(task.remd_model3)
+ remd_models.append(task.remd_model4)
+ remd_models.append(task.remd_model5)
+ return render(request, "details.html",{'task':task,'remd_models':remd_models})
def details1(request,user_id,task_id):
if task.md_pdbref and task.type=='remd' or task.type=='dock' and task.md_seq2 == '':
+ remd_models=[]
for i in range(1,6):
try:
with open(task.jobdirname+'/file_wham_T'+str(int(task.remd_cluter_temp))+'K_000'+str(i)+'.pdb', 'r') as f:
line=f.readline()
- if i==1:
- task.remd_model1='Cluster1 '+' '.join(line.split()[-3:])
- elif i==2:
- task.remd_model2='Cluster2 '+' '.join(line.split()[-3:])
- elif i==3:
- task.remd_model3='Cluster3 '+' '.join(line.split()[-3:])
- elif i==4:
- task.remd_model4='Cluster4 '+' '.join(line.split()[-3:])
- elif i==5:
- task.remd_model5='Cluster5 '+' '.join(line.split()[-3:])
+ remd_models.append('Cluster'+str(i)+' '.join(line.split()[-3:]))
except EnvironmentError:
print 'file_wham_T*pdb open error'
for i in range(1,6):
if 'GDT-TS-score=' in line:
text=text+' GDT_TS='+line.split()[1]
- if i==1:
- task.remd_model1=task.remd_model1+text
- elif i==2:
- task.remd_model2=task.remd_model2+text
- elif i==3:
- task.remd_model3=task.remd_model3+text
- elif i==4:
- task.remd_model4=task.remd_model4+text
- elif i==5:
- task.remd_model5=task.remd_model5+text
+ remd_models[i-1]=remd_models[i-1]+text
if task.type=='dock':
for i in range(1,6):
if 'DockQ ' in line:
text=text+' DockQ='+line.split()[1]
- if i==1:
- task.remd_model1=task.remd_model1+text
- elif i==2:
- task.remd_model2=task.remd_model2+text
- elif i==3:
- task.remd_model3=task.remd_model3+text
- elif i==4:
- task.remd_model4=task.remd_model4+text
- elif i==5:
- task.remd_model5=task.remd_model5+text
+ remd_models[i-1]=remd_models[i-1]+text
if task.type=='remd' or task.type=='dock':
i+=1
if i>6:
break
- if i==1:
- task.remd_model1=task.remd_model1+' Cluster1 probability= '+line1.split()[-2]
- elif i==2:
- task.remd_model2=task.remd_model2+' Cluster2 probability= '+line1.split()[-2]
- elif i==3:
- task.remd_model3=task.remd_model3+' Cluster3 probability= '+line1.split()[-2]
- elif i==4:
- task.remd_model4=task.remd_model4+' Cluster4 probability= '+line1.split()[-2]
- elif i==5:
- task.remd_model5=task.remd_model5+' Cluster5 probability= '+line1.split()[-2]
+ try:
+ remd_models[i-1]=remd_models[i-1]+' Cluster'+str(i)+'probability= '+line1.split()[-2]
+ except:
+ print i
-
+ task.remd_models=json.dumps(remd_models)
task.save()
elif os.path.isfile(task.jobdirname+'/file_GB000.stat') and not task.done: