X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=django_simple%2Ftodo%2Fviews.py;h=092b9bda8d686dfe9557660c2f6078d9721145c3;hb=e6952112c3c270c93a61b721cd8840b483a52621;hp=8ad50605a3dd3dbec10f7cb3a698101a8c17bb98;hpb=d82a989eec06a167258ff6d644dd77292310ddda;p=django_unres.git diff --git a/django_simple/todo/views.py b/django_simple/todo/views.py index 8ad5060..092b9bd 100644 --- a/django_simple/todo/views.py +++ b/django_simple/todo/views.py @@ -161,8 +161,9 @@ def index(request): user = request.user tasks = Task.objects.filter(owner=user).order_by('-created_date') variable = '' + tasks_count = Task.objects.filter(owner=user).count() return render(request, "index.html", { - 'tasks': tasks, 'alldone': 0 + 'tasks': tasks, 'alldone': 0, 'tasks_count':tasks_count }) @login_required @@ -292,6 +293,9 @@ def add_md(request,task_id): task.md_start=form.cleaned_data["md_start"] task.md_temp=form.cleaned_data["md_temp"] task.md_nstep=form.cleaned_data["md_nstep"] + task.md_total_steps=task.md_nstep + if task.md_nstep<250000: + task.md_ntwx=100 basename = str(task.owner) suffix = datetime.datetime.now().strftime("%y%m%d_%H%M%S") @@ -380,6 +384,7 @@ def add_md_a(request,task_id): task.md_temp=form.cleaned_data["md_temp"] task.md_nstep=form.cleaned_data["md_nstep"] + task.md_total_steps=task.md_nstep task.md_ntwe=form.cleaned_data["md_ntwe"] task.md_ntwx=form.cleaned_data["md_ntwx"] task.md_dt=form.cleaned_data["md_dt"] @@ -452,6 +457,7 @@ def add_remd(request,task_id): task.md_seed=form.cleaned_data["md_seed"] task.md_nstep=form.cleaned_data["md_nstep"] + task.md_total_steps=task.md_nstep if any(c.islower() for c in seq): task.md_respa=False @@ -669,6 +675,7 @@ def add_remd_a(request,task_id): task.md_seed=form.cleaned_data["md_seed"] task.md_nstep=form.cleaned_data["md_nstep"] + task.md_total_steps=task.md_nstep task.md_dt=form.cleaned_data["md_dt"] task.md_lang=form.cleaned_data["md_lang"] task.md_tau=form.cleaned_data["md_tau"] @@ -900,6 +907,67 @@ def details1(request,user_id,task_id): def delete(request, task_id): Task.objects.get(id=task_id).delete() return redirect('/') + +@login_required +def restart(request, task_id): + task = get_object_or_404(Task, id=task_id) + restart0(task) + return redirect('/') + +def add_restart_inp(): + with open('file.inp','r') as f1, open ('file.inp.tmp','w') as f2: + for line in f1: + if 'reset_vel=' in line: + f2.write('{:79}'.format('restart'+line[7:])) + else: + f2.write(line) + os.remove('file.inp') + os.rename('file.inp.tmp','file.inp') + return + +def restart0(task): + if os.path.isfile(task.jobdirname+'/finished'): + os.remove(task.jobdirname+'/finished') + task.running =1 + task.done=False + task.md_total_steps = task.md_total_steps+task.md_nstep + task.save() + if task.type == 'md': + os.chdir(task.jobdirname) + add_restart_inp() + ret_code = subprocess.Popen(' /opt/torque/bin/qsub pbs.csh', shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT) + os.chdir('..') + elif task.type == 'remd': + os.chdir(task.jobdirname) + add_restart_inp() + tmp1=json.loads(task.remd_multi_m) + nreplicas=sum(map(int, tmp1)) + with open('file_wham.inp','r') as f1, open ('file_wham.tmp','w') as f2: + for line in f1: + if 'rec_end=' in line: + rec=task.md_total_steps/task.md_ntwx + f2.write('nfile_cx=1 rec_start='+str(rec/10) + +' rec_end='+str(rec)+' totraj='+str(nreplicas)+'\n') + elif 'isampl=' in line: + if task.md_total_steps/task.md_ntwx*nreplicas<=8000: + isampl=1 + else: + isampl=int(task.md_total_steps/task.md_ntwx*nreplicas/8000) + f2.write('{:79}'.format(' isampl='+str(isampl))+'&\n') + else: + f2.write(line) + os.remove('file_wham.inp') + os.rename('file_wham.tmp','file_wham.inp') + ret_code = subprocess.Popen(' /opt/torque/bin/qsub pbs8.csh', shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT) + os.chdir('..') + return + +def restart1(request, user_id, task_id): + task = get_object_or_404(Task, id=task_id) + user = task.owner + restart0(task) + return redirect('/details1/'+str(user)+'/'+str(task.id)+'/') + def refresh_done1(request, task_id): task = get_object_or_404(Task, id=task_id) @@ -924,6 +992,7 @@ def refresh_done1(request, task_id): def refresh_done(request): user = request.user tasks = Task.objects.filter(owner=user).order_by('-created_date') + tasks_count = Task.objects.filter(owner=user).count() alldone = 1 for task in tasks: refresh_done0(task) @@ -947,7 +1016,8 @@ def refresh_done(request): return render(request, "index.html", { 'tasks': tasks , 'variable' : variable, - 'alldone': alldone + 'alldone': alldone, + 'tasks_count':tasks_count }) @@ -1045,15 +1115,15 @@ def refresh_done0(task): if i>6: break if i==1: - task.remd_model1=task.remd_model1+' Cluster1 probability= '+line1.split()[2] + 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] + 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] + 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] + 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] + task.remd_model5=task.remd_model5+' Cluster5 probability= '+line1.split()[-2] @@ -1091,3 +1161,24 @@ def refresh_done0(task): return + +@login_required +def zip_all_files(request, task_id): + import os, zipfile + from django.http import HttpResponse + from wsgiref.util import FileWrapper + from django.core.files.temp import NamedTemporaryFile + + task = get_object_or_404(Task, id=task_id) + + temp=NamedTemporaryFile() + archive = zipfile.ZipFile(temp, 'w', zipfile.ZIP_DEFLATED) + for (dirpath, dirnames, filenames) in os.walk(task.jobdirname): + for file1 in filenames: + archive.write(dirpath+"/"+file1,file1) + archive.close() + temp.seek(0) + wrapper = FileWrapper(temp) + response = HttpResponse(wrapper, content_type='application/zip') + response['Content-Disposition'] = 'attachment; filename=all.zip' + return response