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'
(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,
('plgrid', 'plgrid'),
('plgrid-long', 'plgrid-long'),
('plgrid-testing', 'plgrid-testing'),
)
- MODULES_CHOICES = (
- ('plgrid/apps/python', 'plgrid/apps/python'),
- ('plgrid/apps/matlab', 'plgrid/apps/matlab'),
- )
+
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)
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)
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)
native = forms.MultipleChoiceField(label=u"Opcje systemu kolejkowego", required=False)
persistent = forms.BooleanField(label=u"Trwałe", required=False)
- def __init__(self, data=None, initial=None, *args, **kwargs):
+ def __init__(self, data=None, initial=None, hosts=(), applications=(), modules=(), *args, **kwargs):
super(JobDescriptionForm, self).__init__(data, initial=initial, *args, **kwargs)
+ 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('queue')
+ self._init_user_choices('arguments')
+ self._init_user_choices('native')
+ self._init_user_choices('stage_in')
+ self._init_user_choices('force_field')
+
+ if not hosts:
+ self._init_user_choices('hosts')
+ self._init_user_choices('application')
+ self._init_user_choices('modules')
+
+
+ self.fields['monitoring'].widget.attrs['disabled'] = True
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 not data['application'] and not data['executable'] and not data['script']:
- self.add_error(None, u"Jedno z następujących pól jest niezbędne do uruchomienia zadania: "
- u"Aplikacja, Plik wykonywalny lub Skrypt")
+ 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")
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):
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 []
+ def _init_user_choices(self, name):
+ initial = self.initial.get(name)
+ choices = self.data.getlist(name)[:] if self.data 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)
projects / qcg-portal.git / blobdiff