X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=qcg%2Fforms.py;h=13d0a5ee58f4bb89914d3b46f9a5f3b88f8a56fb;hb=5e1c3d729bd5bb38ce285159d8df8ca696670094;hp=4cd49e7abd177aca31a8e74caadb9acd6e05f65c;hpb=dc56e8385ff789891593b39b15a840e3ffdf4e24;p=qcg-portal.git diff --git a/qcg/forms.py b/qcg/forms.py index 4cd49e7..13d0a5e 100644 --- a/qcg/forms.py +++ b/qcg/forms.py @@ -5,7 +5,7 @@ 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}') @@ -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) @@ -73,13 +75,7 @@ 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): @@ -95,20 +91,18 @@ class JobDescriptionForm(forms.Form): 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, ) PROTOCOL_CHOICES = ( ('', u'Brak'), @@ -116,10 +110,28 @@ class JobDescriptionForm(forms.Form): ('xmpp', u'XMPP'), ) - application = forms.ChoiceField(choices=APPLICATION_CHOICES, label=u"Aplikacja", required=False) # TODO choices - master_file = forms.CharField(label=u"Plik główny", max_length=500, required=False) + FORCE_FIELD_CHOICES = ( + ('GAB', u'GAB'), + ('E0LL2Y', u'E0LL2Y'), + ) + + 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) # TODO saving to grid ftp + 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) @@ -137,8 +149,6 @@ class JobDescriptionForm(forms.Form): input = forms.CharField(label=u"Standardowe wejście", max_length=500, required=False) stage_in = forms.MultipleChoiceField(label=u"Stage in", required=False) - # TODO stage_out (?) - # stage_out = forms.MultipleChoiceField(label=u"Stage out", required=False) monitoring = forms.BooleanField(label=u"Portal QCG-Monitoring", required=False) notify_type = forms.ChoiceField(label=u"Monitorowanie stanu", choices=PROTOCOL_CHOICES, required=False, initial='', @@ -160,22 +170,30 @@ class JobDescriptionForm(forms.Form): 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 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['native'].choices += ((v, v) for v in data.getlist('native')) - self.fields['stage_in'].choices += ((v, v) for v in data.getlist('stage_in')) - # self.fields['stage_out'].choices += ((v, v) for v in data.getlist('stage_out')) + 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['application'] and not data['master_file']: - self.add_error('master_file', u"W trybie uruchamiania aplikacji należy podać plik główny") + '''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 '' @@ -204,20 +222,20 @@ class JobDescriptionForm(forms.Form): 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_nodes(self): - return map(int, self.cleaned_data['nodes'].split(':', 2)) if self.cleaned_data['nodes'] else '' - def clean_input(self): return self._gsiftp_suffix(self.cleaned_data['input']) def clean_stage_in(self): - return ['gsiftp://' + item for item in self.cleaned_data['stage_in']] + 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']) @@ -225,9 +243,24 @@ class JobDescriptionForm(forms.Form): 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): - return 'gsiftp://' + url if url else '' + 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): @@ -254,3 +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',)