def save_record(f, model, sid, source_type, smile=None, local_search_id=None):
from chemistry.tasks import calculateTask, DEFAULT_TEMPERATURE_ARGS
task = SingleTask()
task.start_time = utils.get_real_now()
task.sid = SuiteTask.objects.get(sid=sid)
task.pid = str(uuid.uuid4())
task.model = ModelCategory.objects.get(category=model['model'])
temperature = model.get('temperature')
task.temperature = float(temperature) if temperature else DEFAULT_TEMPERATURE_ARGS
if source_type == ORIGIN_UPLOAD:
# here, f is ProcessedFile record instance
f.file_source = FileSourceCategory.objects.get(category=source_type)
f.file_type = "mol"
task.file_obj = f
f.save()
elif source_type in (ORIGIN_SMILE, ORIGIN_DRAW):
# here, f is a file path
processed_f = ProcessedFile()
obj = File(open(f, "r"))
processed_f.title = os.path.basename(obj.name)
processed_f.file_type = source_type
processed_f.file_source = FileSourceCategory.objects.get(category=source_type)
processed_f.file_obj = obj
if smile:
processed_f.smiles = smile
if source_type == ORIGIN_SMILE and local_search_id is not None:
processed_f.local_search_id = int(local_search_id)
processed_f.save()
task.file_obj = processed_f
obj.close()
else:
raise ErrorCalculateType('Cannot recongize this source type')
task.status = StatusCategory.objects.get(category=STATUS_WORKING)
task.save()
chemistry_logger.info('~~~~~~~~ t:%s' % task.start_time)
calculateTask.delay(task, sid, model)
def file_upload_save_process(request):
f = request.FILES["file"]
name, filetype = split_file_name(UploadedFile(f).name)
obj = ProcessedFile()
obj.title = name
obj.file_type = filetype
obj.file_obj = f
obj.save()
return obj
