X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=qcg%2Fviews.py;h=289e39824a310e7fbdea3f358a00c26a9ddf4832;hb=c1216c97a5b7722c0f188186b384692da3bda9c8;hp=3f37df1b74808507d7af597b0b12125cc277adbf;hpb=f1feda98350bcbcd03ba5f79a41b33acd8161ade;p=qcg-portal.git diff --git a/qcg/views.py b/qcg/views.py index 3f37df1..289e398 100644 --- a/qcg/views.py +++ b/qcg/views.py @@ -23,14 +23,16 @@ from filex.ftp import FTPOperation, FTPError from filex.views import make_url from qcg.forms import FiltersForm, ColumnsForm, JobDescriptionForm, EnvFormSet, JobTemplateForm from qcg.models import JobTemplate -from qcg.utils import paginator_context, to_job_desc, to_form_data -from qcg.service import update_user_data, update_job, cancel, clean +from qcg.utils import paginator_context, to_job_desc, to_form_data, restricted, cached_resources +from qcg import service from django.utils import encoding import string import random import os +from qcg import constants +from qcg.utils import chunks, generate_md_inputfile # for Debugging from pprint import pprint @@ -69,9 +71,9 @@ def parse_date(string): return datetime.strptime(string.strip(), "%d.%m.%Y").replace(tzinfo=UTC()) -@login_required +@restricted def jobs_list(request): - update_user_data(request.user, request.session['proxy']) + service.update_user_data(request.user, request.session['proxy']) tasks = request.user.tasks.order_by('-job__submission_time', '-submission_time') \ .select_related('job').prefetch_related('allocations__nodes') @@ -158,16 +160,16 @@ def jobs_list(request): return render(request, 'qcg/jobs.html', context) -@login_required +@restricted def job_details(request, job_id): - job = get_object_or_404(request.user.jobs.prefetch_related('tasks'), job_id=job_id) + job = get_object_or_404(request.user.jobs.select_related('owner').prefetch_related('tasks'), job_id=job_id) return render(request, 'qcg/job.html', process_details(request, job)) -@login_required +@restricted def task_details(request, job_id, task_id): - task = get_object_or_404(request.user.tasks.select_related('job').prefetch_related('allocations'), + task = get_object_or_404(request.user.tasks.select_related('job__owner').prefetch_related('allocations'), job__job_id=job_id, task_id=task_id) return render(request, 'qcg/task.html', process_details(request, task.job, task)) @@ -175,7 +177,7 @@ def task_details(request, job_id, task_id): def process_details(request, job, task=None): if not job.terminated or not job.purged: - update_job(job, request.session['proxy']) + service.update_job(job, request.session['proxy']) form_data = to_form_data(job.qcg_description) env_formset_data = [{'name': name, 'value': value} for name, value in form_data.pop('env_variables', ())] @@ -192,50 +194,11 @@ def process_details(request, job, task=None): return {'job': job, 'task': task, 'form': form, 'env_formset': env_formset, 'template_form': template_form} -def generate_md_inputfile(params): - md_input = list() - # Opis pliku wyjsciowego - opis=params['note'][:80] - md_input.append(encoding.smart_str(opis, encoding='ascii', errors='ignore')) - # Dane kontrolne obliczeń - md_input.append('SEED=-3059743 PDBREF MD EXTCONF RESCALE_MODE=2') - ctl_data='nstep='+str(params['nstep'])+' ntwe='+str(params['ntwe']) - ctl_data+=' ntwx='+str(params['ntwx'])+' dt='+str(params['dt'])+' damax='+str(params['damax'])+'lang=0 tbf' - md_input.append('{:<79}&'.format(ctl_data)) - md_input.append('tau_bath=1.0 t_bath=300 reset_vel=10000 respa ntime_split=1 maxtime_split=512') - # Paramatry pól siłowych - if params['force_field'] == 'GAB': - # Wagi pola GAB - md_input.append('WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873 &') - md_input.append('WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000 &') - md_input.append('WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000 &') - md_input.append('WVDWPP=0.11371 WHPB=1.00000 &') - md_input.append('CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0') - else: - # Wagi pola E0LLY - md_input.append('WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954 &') - md_input.append('WSCLOC=0.10554 WTOR=1.84316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 &') - md_input.append('WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000 &') - md_input.append('WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.0 &') - md_input.append('CUTOFF=7.00000 WCORR4=0.00000') - # Plik PDB - md_input.append(params['pdb_file'].split('/')[-1]) - # Sekwencja aminokwasów - md_input.append(len(params['sequence'])) - seq_str=params['sequence'] - while seq_str: - md_input.append(seq_str[:80]) - seq_str=seq_str[80:] - md_input.append(' 0') - md_input.append(' 0') - - return md_input - def id_generator(size=6, chars=string.ascii_uppercase + string.digits): return ''.join(random.choice(chars) for _ in range(size)) -@login_required +@restricted def job_submit(request, template_id=None): save_template = 'save-template' in request.POST template = get_object_or_404(request.user.templates, id=template_id) if template_id is not None else None @@ -245,9 +208,10 @@ def job_submit(request, template_id=None): env_formset_data = [{'name': name, 'value': value} for name, value in form_data.pop('env_variables', ())] else: form_data, env_formset_data = None, None + hosts, applications, modules = cached_resources(request.session['proxy']) if request.method == 'POST': - form = JobDescriptionForm(request.POST, initial=form_data) + form = JobDescriptionForm(request.POST, form_data, hosts, applications, modules) env_formset = EnvFormSet(request.POST, initial=env_formset_data) template_form = JobTemplateForm(request.POST, prefix='template', instance=template) @@ -257,25 +221,23 @@ def job_submit(request, template_id=None): for env in env_formset.cleaned_data if env and not env['DELETE']] # Generowanie pliku inputowego - #md_input=list() md_input=generate_md_inputfile(params) - filename='input.'+id_generator(6)+'.tmp' - f = open(filename, 'w') - # for Debugging - for idx in md_input: - print idx - f.write("%s\n" % idx) - f.close() - os.remove(filename) - + url=os.path.splitext(params['pdb_file'])[0]+'_MD_genarated.inp' + params['master_file']=url + params['stage_in'].append(params['pdb_file']) # Upload - + ftp = FTPOperation(request.session['proxy']) + ftp.put(url) + for chunk in chunks('\n'.join([str(i) for i in md_input] ), 4096): + ftp.stream.put(chunk) + ftp.stream.put(None) + ftp.wait() + params['persistent'] = True - # Debugging parametrów - pprint(params) job_desc = to_job_desc(params, request.session['proxy']) + if save_template: template = template_form.save(commit=False) @@ -285,17 +247,16 @@ def job_submit(request, template_id=None): return redirect(template) - # wyłączenie wysyłania zadania - ''' - job = job_desc.submit() + job = service.submit(job_desc, request.session['proxy']) + messages.success(request, - format_html(' ' + format_html(u' ' u'Zlecono zadanie {}.', job.job_id)) - ''' + return redirect('jobs') else: - form = JobDescriptionForm(initial=form_data) + form = JobDescriptionForm(initial=form_data, hosts=hosts, applications=applications, modules=modules) env_formset = EnvFormSet(initial=env_formset_data) template_form = JobTemplateForm(prefix='template', instance=template) @@ -309,60 +270,51 @@ def job_submit(request, template_id=None): @require_POST @login_required def job_cancel(request, job_id): - return obj_cancel(request, get_object_or_404(request.user.jobs, job_id=job_id)) + job = get_object_or_404(request.user.jobs, job_id=job_id) + return obj_run(request, job, service.cancel, u'Zadanie anulowano.') @require_POST @login_required def task_cancel(request, job_id, task_id): - return obj_cancel(request, get_object_or_404(request.user.tasks, job__job_id=job_id, task_id=task_id)) - - -def obj_cancel(request, obj): - try: - cancel(obj, request.session['proxy']) - except PyqcgException as e: - messages.error(request, format_html(' {}', - e.message)) - else: - messages.success(request, format_html(' ' - 'Zadanie anulowano.')) - - return redirect(obj) + task = get_object_or_404(request.user.tasks, job__job_id=job_id, task_id=task_id) + return obj_run(request, task, service.cancel, u'Zadanie anulowano.') @require_POST @login_required def job_clean(request, job_id): - return obj_clean(request, get_object_or_404(request.user.jobs, job_id=job_id)) + job = get_object_or_404(request.user.jobs, job_id=job_id) + return obj_run(request, job, service.clean, u'Usunięto katalog roboczy.') @require_POST @login_required def task_clean(request, job_id, task_id): - return obj_clean(request, get_object_or_404(request.user.tasks, job__job_id=job_id, task_id=task_id)) + task = get_object_or_404(request.user.tasks, job__job_id=job_id, task_id=task_id) + return obj_run(request, task, service.clean, u'Usunięto katalog roboczy.') -def obj_clean(request, obj): +def obj_run(request, obj, func, msg): try: - clean(obj, request.session['proxy']) + func(obj, request.session['proxy']) except PyqcgException as e: messages.error(request, format_html(' {}', e.message)) else: - messages.success(request, format_html(' ' - 'Usunięto katalog roboczy.')) + messages.success(request, + format_html(' {}', msg)) return redirect(obj) -@login_required +@restricted def gridftp(request): return render(request, 'qcg/gridftp.html', {'new_dir_form': HostPathNameForm(), 'rename_form': RenameForm(), 'archive_form': ArchiveForm()}) -@login_required +@restricted def gridftp_upload(request): form = HostPathForm(request.GET) @@ -381,7 +333,7 @@ def gridftp_upload(request): 'sep': '/' if form.cleaned_data['path'].startswith('~') else ''}) -@login_required +@restricted def job_templates(request): return render(request, 'qcg/job_templates.html', {'templates': request.user.templates.all()}) @@ -392,7 +344,7 @@ def template_delete(request, template_id): template = get_object_or_404(request.user.templates, id=template_id) template.delete() - messages.success(request, format_html(' ' + messages.success(request, format_html(u' ' u'Usunięto szablon {}.', template.name)) return redirect('job_templates') @@ -411,7 +363,7 @@ def job_save_template(request, job_id): return redirect(template) - messages.error(request, format_html(' {}' - 'Nie udało się zapisać szablonu!', template_form.errors)) + messages.error(request, format_html(u' {}' + u'Nie udało się zapisać szablonu!', template_form.errors)) return redirect(job)