X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=qcg%2Fforms.py;h=26f901f0242aaf1b432496999b14c0ddea6741a3;hb=15df4cc114ef44ce5e1fdf95f861226b04b1a788;hp=a08a9e5e5a92be824a80ebdf2109de1109c8fc63;hpb=6ba99e07fe1bf711bd64e4e6b2a0ed72e9100696;p=qcg-portal.git diff --git a/qcg/forms.py b/qcg/forms.py index a08a9e5..26f901f 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) @@ -62,26 +64,6 @@ class FiltersForm(forms.Form): class JobDescriptionForm(forms.Form): - class Host(object): - GALERA = 'galera.task.gda.pl' - HYDRA = 'hydra.icm.edu.pl' - INULA = 'inula.man.poznan.pl' - MOSS = 'moss.man.poznan.pl' - NOVA = 'nova.wcss.wroc.pl' - REEF = 'reef.man.poznan.pl' - ZEUS = 'zeus.cyfronet.pl' - - 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' @@ -93,38 +75,56 @@ class JobDescriptionForm(forms.Form): (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'), - ) - MODULES_CHOICES = ( - ('plgrid/apps/python', 'plgrid/apps/python'), - ('plgrid/apps/matlab', 'plgrid/apps/matlab'), + ('plgrid', 'plgrid'), + ('plgrid-long', 'plgrid-long'), + ('plgrid-testing', 'plgrid-testing'), ) + PROTOCOL_CHOICES = ( ('', u'Brak'), ('mailto', u'E-mail'), ('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') + #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) - hosts = forms.MultipleChoiceField(label=u"Host", choices=Host.CHOICES, required=False) + hosts = forms.MultipleChoiceField(label=u"Host", 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) @@ -132,7 +132,7 @@ class JobDescriptionForm(forms.Form): wall_time = TimeRangeField(label=u"Wall time", required=False) memory = forms.IntegerField(label=u"Pamięć (MB)", min_value=0, required=False) memory_per_slot = forms.IntegerField(label=u"Pamięci per proces (MB)", min_value=0, required=False) - modules = forms.MultipleChoiceField(label=u"Moduły", choices=MODULES_CHOICES, required=False) # TODO choices + modules = forms.MultipleChoiceField(label=u"Moduły", required=False) reservation = forms.CharField(label=u"Rezerwacja", max_length=100, required=False) input = forms.CharField(label=u"Standardowe wejście", max_length=500, required=False) @@ -158,21 +158,38 @@ 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, hosts=(), applications=(), modules=(), *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['hosts'].choices = hosts + self.fields['application'].choices = applications + self.fields['modules'].choices = modules + + 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) + self._init_user_choices('force_field', 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['pdb_file']== None: + self.add_error('pdb_file', u"Należy podać plik PDB.") + + if data['sequence']== '': + self.add_error('sequence', u"Należy podać sekwencję aminokwasów.") + + 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 '' @@ -201,20 +218,20 @@ 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']) @@ -222,9 +239,27 @@ 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']) + + def clean_sequence(self): + return self.cleaned_data['sequence'].strip(' \t\n\r') + @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): @@ -251,3 +286,9 @@ 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',)