X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=qcg%2Fforms.py;h=13d0a5ee58f4bb89914d3b46f9a5f3b88f8a56fb;hb=5e1c3d729bd5bb38ce285159d8df8ca696670094;hp=7d53c7c6c30f346db1e4f821b877bdea5555079f;hpb=d33fbaaca284582fae920d9cc22a4755afeb169d;p=qcg-portal.git diff --git a/qcg/forms.py b/qcg/forms.py index 7d53c7c..13d0a5e 100644 --- a/qcg/forms.py +++ b/qcg/forms.py @@ -5,11 +5,11 @@ from django.template.defaultfilters import capfirst from pyqcg.utils import TaskStatus from qcg.fields import TimeRangeField -from qcg.models import Task, Allocation +from qcg.models import Task, Allocation, JobTemplate date_range_validator = RegexValidator(r'[0-9]{2}\.[0-9]{2}\.[0-9]{4} - [0-9]{2}\.[0-9]{2}\.[0-9]{4}') -nodes_validator = RegexValidator(r'^[0-9]{1,3}(:[0-9]{1,2}){0,2}$') +nodes_validator = RegexValidator(r'^[0-9]{1,3}:[0-9]{1,2}(:[0-9]{1,2})?$') env_name_validator = RegexValidator(r'^[a-zA-Z_][a-zA-Z0-9_]*$') CHOICES_PLACEHOLDER = (None, '') @@ -44,12 +44,14 @@ class FiltersForm(forms.Form): } STATUS_CHOICES_DICT = dict(STATUS_CHOICES) + keywords = forms.CharField(max_length=100, label=u"Wyszukaj frazę", required=False) status = forms.MultipleChoiceField(choices=STATUS_CHOICES, label=u"Status", required=False, widget=forms.CheckboxSelectMultiple) - host = forms.MultipleChoiceField(label=u"Host", required=False, widget=forms.CheckboxSelectMultiple) # advanced - keywords = forms.CharField(max_length=100, label=u"Wyszukaj frazę", required=False) + host = forms.MultipleChoiceField(label=u"Host", required=False, widget=forms.CheckboxSelectMultiple) + purged = forms.TypedChoiceField(label=u"Istniejący katalog roboczy?", required=False, coerce=lambda x: bool(int(x)), + choices=((0, 'Tak'), (1, 'Nie')), widget=forms.RadioSelect) submission = forms.CharField(label=u"Data zlecenia", validators=[date_range_validator], required=False) finish = forms.CharField(label=u"Data zakończenia", validators=[date_range_validator], required=False) @@ -73,51 +75,69 @@ class JobDescriptionForm(forms.Form): CHOICES = ( CHOICES_PLACEHOLDER, - (GALERA, u'Galera'), - (HYDRA, u'Hydra'), (INULA, u'Inula'), - (MOSS, u'Moss'), - (NOVA, u'Supernova'), - (REEF, u'Reef'), - (ZEUS, u'Zeus'), ) + + class Process(object): + NONE = '' + CMD = 'c' + SCRIPT = 's' + + CHOICES = ( + (NONE, u'Brak'), + (CMD, u'Polecenie'), + (SCRIPT, u'Skrypt'), + ) + APPLICATION_CHOICES = ( CHOICES_PLACEHOLDER, - ('bash', 'BASH'), - ('gromacs/4.6.3', 'GROMACS 4.6.3'), - ('matlab', 'MATLAB'), - ('python', 'Python'), + ('unres-gab', 'UNRES GAB'), + ('unres-e0ll2y', 'UNRES E0LL2Y'), ) + QUEUE_CHOICES = ( CHOICES_PLACEHOLDER, - ('plgid', 'plgrid'), - ('plgid-long', 'plgrid-long'), - ('plgid-testing', 'plgrid-testing'), + ('plgrid', 'plgrid'), + ('plgrid-long', 'plgrid-long'), + ('plgrid-testing', 'plgrid-testing'), ) MODULES_CHOICES = ( - ('plgrid/apps/python', 'plgrid/apps/python'), - ('plgrid/apps/matlab', 'plgrid/apps/matlab'), + CHOICES_PLACEHOLDER, ) - NOTIFY_CHOICES = ( - (0, u'Brak'), - (1, u'E-mail'), - (2, u'XMPP'), + PROTOCOL_CHOICES = ( + ('', u'Brak'), + ('mailto', u'E-mail'), + ('xmpp', u'XMPP'), ) - PROCESS_CHOICES = ( - (0, u'Brak'), - (1, u'Polecenie'), - (2, u'Skrypt'), + + FORCE_FIELD_CHOICES = ( + ('GAB', u'GAB'), + ('E0LL2Y', u'E0LL2Y'), ) - application = forms.ChoiceField(choices=APPLICATION_CHOICES, label=u"Aplikacja", required=False) # TODO choices - executable = forms.CharField(label=u"Plik wykonywalny", max_length=500, required=False) # TODO grid ftp - script = forms.CharField(label=u"Skrypt", widget=forms.Textarea(attrs={'rows': 2, 'cols': 40}), required=False) # TODO saving to grid ftp + nstep = forms.IntegerField(label=u"NSTEP", help_text=u"Liczba kroków w trajektorii", min_value=1, initial=500000, required=False) + ntwe = forms.IntegerField(label=u"NTWE", help_text=u"Częstość zapisu energii w krokach", min_value=0, initial=100, required=False) + ntwx = forms.IntegerField(label=u"NTWX", help_text=u"Częstość zapisu współrzędnych w krokach", min_value=0, initial=1000, required=False) + dt = forms.DecimalField(label=u"DT", help_text=u"Krok czasowy. Wartość kroku równa jedności to 48.9 fs", max_digits=5, decimal_places=2, min_value=0.01, initial=0.1, required=False) + damax = forms.DecimalField(label=u"DAMAX", help_text=u"Maksymalna dopuszczalna zmiana przyspieszenia podczas jednego kroku czasowego", max_digits=5, decimal_places=2, min_value=0.01, initial=1.0, required=False) + force_field = forms.ChoiceField(choices=FORCE_FIELD_CHOICES, label=u"Pole siłowe", required=False, initial='GAB') + + pdb_file = forms.CharField(label=u"Plik PDB", max_length=500, required=False) + #retmin = forms.IntegerField(label=u"RETMIN", help_text=u"Dolny zakres temparatur dla wymiany replik", min_value=2, initial=250, required=False) + #retmax = forms.IntegerField(label=u"RETMAX", help_text=u"Górny zakres temperatur dla wymiany replik", min_value=2, initial=450, required=False) + sequence = forms.CharField(label=u"Sekwencja", help_text=u"Sekwencja aminokwasów w zapisie jednoliterowym", widget=forms.Textarea(attrs={'rows': 2, 'cols': 40}), required=False) + + + application = forms.ChoiceField(choices=APPLICATION_CHOICES, label=u"Aplikacja", required=False, initial='unres-gab') # TODO choices + #master_file = forms.CharField(label=u"Plik główny", max_length=500, required=False) + executable = forms.CharField(label=u"Plik wykonywalny", max_length=500, required=False) + script = forms.CharField(label=u"Skrypt", widget=forms.Textarea(attrs={'rows': 2, 'cols': 40}), required=False) arguments = forms.MultipleChoiceField(label=u"Argumenty", required=False) note = forms.CharField(label=u"Opis", widget=forms.Textarea(attrs={'rows': 2, 'cols': 40}), required=False) grant = forms.CharField(label=u"Grant", max_length=100, required=False) - host = forms.ChoiceField(label=u"Host", choices=Host.CHOICES, required=False) - properties = forms.MultipleChoiceField(label=u"Właściwości węzłów", required=False) + hosts = forms.MultipleChoiceField(label=u"Host", choices=Host.CHOICES, required=False) + properties = forms.CharField(label=u"Właściwości węzłów", required=False) queue = forms.ChoiceField(choices=QUEUE_CHOICES, label=u"Kolejka", required=False) procs = forms.IntegerField(label=u"Liczba procesów", min_value=0, required=False) nodes = forms.CharField(label=u"Topologia węzłów", max_length=10, validators=[nodes_validator], required=False) @@ -127,40 +147,120 @@ class JobDescriptionForm(forms.Form): modules = forms.MultipleChoiceField(label=u"Moduły", choices=MODULES_CHOICES, required=False) # TODO choices reservation = forms.CharField(label=u"Rezerwacja", max_length=100, required=False) - # TODO grid ftp input = forms.CharField(label=u"Standardowe wejście", max_length=500, required=False) - stage_in = forms.CharField(label=u"Stage in", max_length=500, required=False) - stage_out = forms.CharField(label=u"Stage out", max_length=500, required=False) + stage_in = forms.MultipleChoiceField(label=u"Stage in", required=False) monitoring = forms.BooleanField(label=u"Portal QCG-Monitoring", required=False) - notify_type = forms.ChoiceField(label=u"Monitorowanie stanu", choices=NOTIFY_CHOICES, required=False, initial=0, + notify_type = forms.ChoiceField(label=u"Monitorowanie stanu", choices=PROTOCOL_CHOICES, required=False, initial='', widget=forms.RadioSelect) notify_address = forms.EmailField(label=u"Adres", required=False) - watch_output_type = forms.ChoiceField(label=u"Monitorowanie wyjścia", choices=NOTIFY_CHOICES, required=False, - initial=0, widget=forms.RadioSelect) + watch_output_type = forms.ChoiceField(label=u"Monitorowanie wyjścia", choices=PROTOCOL_CHOICES, required=False, + initial='', widget=forms.RadioSelect) watch_output_address = forms.EmailField(label=u"Adres", required=False) watch_output_pattern = forms.CharField(label=u"Wzorzec", max_length=500, required=False) - preprocess_type = forms.ChoiceField(label=u"Preprocessing", choices=PROCESS_CHOICES, required=False, initial=0, - widget=forms.RadioSelect) + preprocess_type = forms.ChoiceField(label=u"Preprocessing", choices=Process.CHOICES, required=False, + initial=Process.NONE, widget=forms.RadioSelect) preprocess_cmd = forms.CharField(label=u"Polecenie", max_length=1000, required=False) - preprocess_script = forms.CharField(label=u"Skrypt", max_length=500, required=False) # TODO grid ftp - postprocess_type = forms.ChoiceField(label=u"Postprocessing", choices=PROCESS_CHOICES, required=False, initial=0, - widget=forms.RadioSelect) + preprocess_script = forms.CharField(label=u"Skrypt", max_length=500, required=False) + postprocess_type = forms.ChoiceField(label=u"Postprocessing", choices=Process.CHOICES, required=False, + initial=Process.NONE, widget=forms.RadioSelect) postprocess_cmd = forms.CharField(label=u"Polecenie", max_length=1000, required=False) - postprocess_script = forms.CharField(label=u"Skrypt", max_length=500, required=False) # TODO grid ftp + postprocess_script = forms.CharField(label=u"Skrypt", max_length=500, required=False) native = forms.MultipleChoiceField(label=u"Opcje systemu kolejkowego", required=False) persistent = forms.BooleanField(label=u"Trwałe", required=False) - def __init__(self, data=None, *args, **kwargs): - super(JobDescriptionForm, self).__init__(data, *args, **kwargs) + def __init__(self, data=None, initial=None, *args, **kwargs): + super(JobDescriptionForm, self).__init__(data, initial=initial, *args, **kwargs) + + if data or initial: + self._init_user_choices('queue', data, initial) + self._init_user_choices('arguments', data, initial) + self._init_user_choices('native', data, initial) + self._init_user_choices('stage_in', data, initial) + + def clean(self): + data = super(JobDescriptionForm, self).clean() + + force_field = data.get('force_field') + + if force_field == u'GAB': + data['application'] = [u'unres-gab'] + else: + data['application'] = [u'unres-e0ll2y'] + + '''if data['master_file']: + self.add_error('master_file', u"Należy podać plik główny. :"+data['master_file']) + ''' + if data['procs'] and data['nodes']: + self.add_error(None, u"Zdefiniuj tylko jedno z pól: liczbę procesów lub topologię węzłów") + + notify_type = data.get('notify_type') + data['notify'] = u'{}:{}'.format(notify_type, data['notify_address']) if notify_type else '' + + wo_type = data.get('watch_output_type') + data['watch_output'] = u'{}:{}'.format(wo_type, data['watch_output_address']) if wo_type else '' - if data is not None: - # accept user defined choices - self.fields['queue'].choices += ((data.get('queue'), data.get('queue')), ) - self.fields['arguments'].choices += ((v, v) for v in data.getlist('arguments')) - self.fields['properties'].choices += ((v, v) for v in data.getlist('properties')) - self.fields['native'].choices += ((v, v) for v in data.getlist('native')) + preprocess_type = data.get('preprocess_type') + if preprocess_type == self.Process.CMD: + data['preprocess'] = data['preprocess_cmd'] + elif preprocess_type == self.Process.SCRIPT: + data['preprocess'] = data['preprocess_script'] + else: + data['preprocess'] = '' + + postprocess_type = data.get('postprocess_type') + if postprocess_type == self.Process.CMD: + data['postprocess'] = data['postprocess_cmd'] + elif postprocess_type == self.Process.SCRIPT: + data['postprocess'] = data['postprocess_script'] + else: + data['postprocess'] = '' + + return data + + def clean_application(self): + return self.cleaned_data['application'].split('/', 1) if self.cleaned_data['application'] else '' + + def clean_nodes(self): + return map(int, self.cleaned_data['nodes'].split(':', 2)) if self.cleaned_data['nodes'] else '' + + def clean_executable(self): + return self._gsiftp_suffix(self.cleaned_data['executable']) + + def clean_master_file(self): + return self._gsiftp_suffix(self.cleaned_data['master_file']) + + def clean_input(self): + return self._gsiftp_suffix(self.cleaned_data['input']) + + def clean_stage_in(self): + return [self._gsiftp_suffix(item) for item in self.cleaned_data['stage_in']] + + def clean_preprocess_script(self): + return self._gsiftp_suffix(self.cleaned_data['preprocess_script']) + + def clean_postprocess_script(self): + return self._gsiftp_suffix(self.cleaned_data['postprocess_script']) + + def clean_pdb_file(self): + return self._gsiftp_suffix(self.cleaned_data['pdb_file']) + + @staticmethod + def _gsiftp_suffix(url): + if url: + return url if url.startswith('gsiftp://') else 'gsiftp://' + url + + def _init_user_choices(self, name, data, initial): + initial = initial.get(name) if initial is not None else None + choices = data.getlist(name)[:] if data is not None else [] + + if initial: + choices += initial if isinstance(initial, list) else [initial] + self.fields[name].initial = initial + + if choices: + self.fields[name].choices += ((v, v) for v in choices) class EnvForm(forms.Form): @@ -187,3 +287,9 @@ class ColumnsForm(forms.Form): columns = forms.MultipleChoiceField(choices=COLUMNS_CHOICES, initial=[k for k, v in COLUMNS_CHOICES[1:]], label=u"Kolumny", required=False, widget=forms.CheckboxSelectMultiple) + + +class JobTemplateForm(forms.ModelForm): + class Meta: + model = JobTemplate + fields = ('name',)