X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=qcg%2Fforms.py;h=d4b0dd343f93b213fc3d941c86f95fd9986e5b4b;hb=0999f502fbda6a6efa22b02e395ebb2269b1be12;hp=077b6530e3fa4ca2d0703e2c16a5e7b860894d15;hpb=2208e0ac4504a21b8debda6984b06ee6ca4503d2;p=qcg-portal.git

diff --git a/qcg/forms.py b/qcg/forms.py
index 077b653..d4b0dd3 100644
--- a/qcg/forms.py
+++ b/qcg/forms.py
@@ -64,20 +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,
-            (INULA, u'Inula'),
-        )
-
     class Process(object):
         NONE = ''
         CMD = 'c'
@@ -89,28 +75,28 @@ class JobDescriptionForm(forms.Form):
             (SCRIPT, u'Skrypt'),
         )
 
+
     APPLICATION_CHOICES = (
         CHOICES_PLACEHOLDER,
-        ('bash', 'BASH'),
-        ('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'),
     )
 
+
     FORCE_FIELD_CHOICES = (
         ('GAB', u'GAB'),
         ('E0LL2Y', u'E0LL2Y'),
@@ -121,20 +107,24 @@ class JobDescriptionForm(forms.Form):
     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)
-    nrep = forms.IntegerField(label=u"NREP", help_text=u"Liczba replik", min_value=2, initial=16, required=False)
-    nstex = forms.IntegerField(label=u"NSTEX", help_text=u"Liczba kroków po których następuje wymiana replik", min_value=2, initial=1000, 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)  # TODO choices
-    master_file = forms.CharField(label=u"Plik główny", max_length=500, 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)
@@ -142,7 +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)
@@ -168,27 +158,44 @@ 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, 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 == self.FORCE_FIELD_CHOICES[0]:
+        
+        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")
+        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")
 
@@ -242,19 +249,21 @@ class JobDescriptionForm(forms.Form):
 
     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)