X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=django_simple%2Ftodo%2Fviews.py;h=ce66ef0f2be525415d2e7959998ac30448ffeea4;hb=93605db97d405db5c7572338a4e5ab11fe4e402b;hp=df3fb4d57a21dca6ea9fbfd9f2355e19fe9c9dbe;hpb=e86b92f83ec41f47f7592d8f3efb7123a122ea90;p=django_unres.git diff --git a/django_simple/todo/views.py b/django_simple/todo/views.py index df3fb4d..ce66ef0 100644 --- a/django_simple/todo/views.py +++ b/django_simple/todo/views.py @@ -169,6 +169,10 @@ def add_min(request,task_id): def add_min_a(request,task_id): task = get_object_or_404(Task, id=task_id) if request.method == 'POST': + if '_example' in request.POST: + data= {'name':task.name,'pdbid':'1EI0','unres_ff':'opt-wtfsa-2'} + form = TaskForm_min_a(initial=data) + else: form = TaskForm_min_a(request.POST,request.FILES) if form.is_valid(): task.name=form.cleaned_data["name"] @@ -179,7 +183,20 @@ def add_min_a(request,task_id): task.min_maxmin=form.cleaned_data["min_maxmin"] task.min_maxfun=form.cleaned_data["min_maxfun"] task.min_pdbout=form.cleaned_data["min_pdbout"] - task.myfile1=form.cleaned_data["file1"] + + basename = str(task.owner) + suffix = datetime.datetime.now().strftime("%y%m%d_%H%M%S") + task.jobdirname = "_".join([basename, suffix]) + + pdbid=form.cleaned_data["pdbid"] + if pdbid: + os.mkdir(task.jobdirname) + task.myfile1,header=urllib.urlretrieve('http://files.rcsb.org/download/'+pdbid+'.pdb', + task.jobdirname+'/plik.pdb') + task.pdbcode=pdbid + else: + task.myfile1=form.cleaned_data["file1"] + task.min_unres_pdb=form.cleaned_data["min_unres_pdb"] task.unres_ff=form.cleaned_data["unres_ff"] task.boxx=form.cleaned_data["boxx"] @@ -191,11 +208,7 @@ def add_min_a(request,task_id): for i in range(0,len(seq),40): task.md_seq=task.md_seq+seq[i:i+40]+" " - task.ready=True - basename = str(task.owner) - suffix = datetime.datetime.now().strftime("%y%m%d_%H%M%S") - task.jobdirname = "_".join([basename, suffix]) task.save() if is_lazy_user(request.user): @@ -213,6 +226,11 @@ def add_min_a(request,task_id): def add_md(request,task_id): task = get_object_or_404(Task, id=task_id) if request.method == 'POST': + if '_example' in request.POST: + data= {'name':task.name,'pdbid':'1IGD','md_start':'pdbstart', + 'md_pdbref':True,'md_temp':200} + form = TaskForm_md(initial=data) + else: form = TaskForm_md(request.POST,request.FILES) if form.is_valid(): task.name=form.cleaned_data["name"] @@ -221,8 +239,19 @@ 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.myfile1=form.cleaned_data["file1"] + + basename = str(task.owner) + suffix = datetime.datetime.now().strftime("%y%m%d_%H%M%S") + task.jobdirname = "_".join([basename, suffix]) + + pdbid=form.cleaned_data["pdbid"] + if pdbid: + os.mkdir(task.jobdirname) + task.myfile1,header=urllib.urlretrieve('http://files.rcsb.org/download/'+pdbid+'.pdb', + task.jobdirname+'/plik.pdb') + task.pdbcode=pdbid + else: + task.myfile1=form.cleaned_data["file1"] task.md_pdbref=form.cleaned_data["md_pdbref"] task.md_seq="" @@ -238,9 +267,6 @@ def add_md(request,task_id): task.ssbond='' task.ready=True - basename = str(task.owner) - suffix = datetime.datetime.now().strftime("%y%m%d_%H%M%S") - task.jobdirname = "_".join([basename, suffix]) task.save() if is_lazy_user(request.user): @@ -258,12 +284,28 @@ def add_md(request,task_id): def add_md_a(request,task_id): task = get_object_or_404(Task, id=task_id) if request.method == 'POST': + if '_example' in request.POST: + data= {'name':task.name,'pdbid':'1L2Y','md_start':'extconf', + 'md_pdbref':True,'md_mdpdb':True} + form = TaskForm_md_a(initial=data) + else: form = TaskForm_md_a(request.POST,request.FILES) if form.is_valid(): task.name=form.cleaned_data["name"] task.type="md" - task.myfile1=form.cleaned_data["file1"] + basename = str(task.owner) + suffix = datetime.datetime.now().strftime("%y%m%d_%H%M%S") + task.jobdirname = "_".join([basename, suffix]) + + pdbid=form.cleaned_data["pdbid"] + if pdbid: + os.mkdir(task.jobdirname) + task.myfile1,header=urllib.urlretrieve('http://files.rcsb.org/download/'+pdbid+'.pdb', + task.jobdirname+'/plik.pdb') + task.pdbcode=pdbid + else: + task.myfile1=form.cleaned_data["file1"] task.md_start=form.cleaned_data["md_start"] task.md_pdbref=form.cleaned_data["md_pdbref"] @@ -296,9 +338,6 @@ def add_md_a(request,task_id): task.ready=True - basename = str(task.owner) - suffix = datetime.datetime.now().strftime("%y%m%d_%H%M%S") - task.jobdirname = "_".join([basename, suffix]) task.save() if is_lazy_user(request.user): @@ -316,12 +355,28 @@ def add_md_a(request,task_id): def add_remd(request,task_id): task = get_object_or_404(Task, id=task_id) if request.method == 'POST': + if '_example' in request.POST: + data= {'name':task.name,'pdbid':'1L2Y','md_pdbref':True} + form = TaskForm_remd(initial=data) + else: form = TaskForm_remd(request.POST,request.FILES) if form.is_valid(): task.name=form.cleaned_data["name"] task.type="remd" task.md_start=form.cleaned_data["md_start"] - task.myfile1=form.cleaned_data["file1"] + + basename = str(task.owner) + suffix = datetime.datetime.now().strftime("%y%m%d_%H%M%S") + task.jobdirname = "_".join([basename, suffix]) + + pdbid=form.cleaned_data["pdbid"] + if pdbid: + os.mkdir(task.jobdirname) + task.myfile1,header=urllib.urlretrieve('http://files.rcsb.org/download/'+pdbid+'.pdb', + task.jobdirname+'/plik.pdb') + task.pdbcode=pdbid + else: + task.myfile1=form.cleaned_data["file1"] task.md_pdbref=form.cleaned_data["md_pdbref"] task.md_ntwx=task.remd_nstex @@ -343,9 +398,6 @@ def add_remd(request,task_id): task.ready=True - basename = str(task.owner) - suffix = datetime.datetime.now().strftime("%y%m%d_%H%M%S") - task.jobdirname = "_".join([basename, suffix]) task.save() if is_lazy_user(request.user): @@ -363,12 +415,29 @@ def add_remd(request,task_id): def add_remd_a(request,task_id): task = get_object_or_404(Task, id=task_id) if request.method == 'POST': + if '_example' in request.POST: + data= {'name':task.name,'pdbid':'1E0G','md_pdbref':True, + 'md_nstep':500000,'md_lang':'berendsen','unres_ff':'opt-wtfsa-2', + 'remd_cluter_temp':280} + form = TaskForm_remd_a(initial=data) + else: form = TaskForm_remd_a(request.POST,request.FILES) if form.is_valid(): task.name=form.cleaned_data["name"] task.type="remd" - task.myfile1=form.cleaned_data["file1"] + basename = str(task.owner) + suffix = datetime.datetime.now().strftime("%y%m%d_%H%M%S") + task.jobdirname = "_".join([basename, suffix]) + + pdbid=form.cleaned_data["pdbid"] + if pdbid: + os.mkdir(task.jobdirname) + task.myfile1,header=urllib.urlretrieve('http://files.rcsb.org/download/'+pdbid+'.pdb', + task.jobdirname+'/plik.pdb') + task.pdbcode=pdbid + else: + task.myfile1=form.cleaned_data["file1"] task.md_start=form.cleaned_data["md_start"] task.md_pdbref=form.cleaned_data["md_pdbref"] @@ -400,14 +469,9 @@ def add_remd_a(request,task_id): task.boxy=form.cleaned_data["boxy"] task.boxz=form.cleaned_data["boxz"] - task.remd_cluter_temp=form.cleaned_data["remd_cluter_temp"] task.unres_ff=form.cleaned_data["unres_ff"] - basename = str(task.owner) - suffix = datetime.datetime.now().strftime("%y%m%d_%H%M%S") - task.jobdirname = "_".join([basename, suffix]) - task.save() return redirect('addmlist',task_id=task.id) else: