From: Dawid Jagieła <lightnir@gmail.com>
Date: Mon, 20 Jul 2015 14:07:13 +0000 (+0200)
Subject: set initial force-field and app version
X-Git-Tag: v1.1~45^2
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=464ad78b761f869b12d38102d08a49b01620faaa;p=qcg-portal.git

set initial force-field and app version
---

diff --git a/qcg/forms.py b/qcg/forms.py
index 0b8475a..9c804a2 100644
--- a/qcg/forms.py
+++ b/qcg/forms.py
@@ -91,8 +91,7 @@ class JobDescriptionForm(forms.Form):
 
     APPLICATION_CHOICES = (
         CHOICES_PLACEHOLDER,
-        ('bash', 'BASH'),
-        ('python', 'Python'),
+        ('unres32', 'UNRES 3.2'),
     )
         
     QUEUE_CHOICES = (
@@ -121,14 +120,14 @@ 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)
+    force_field = forms.ChoiceField(choices=FORCE_FIELD_CHOICES, label=u"Pole siłowe", required=False, initial='GAB')
     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)
     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)
     
-    application = forms.ChoiceField(choices=APPLICATION_CHOICES, label=u"Aplikacja", required=False)  # TODO choices
+    application = forms.ChoiceField(choices=APPLICATION_CHOICES, label=u"Aplikacja", required=False, initial='unres32')  # 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)
diff --git a/qcg/templates/qcg/job_submit_form.html b/qcg/templates/qcg/job_submit_form.html
index 1de0bb0..0267e03 100644
--- a/qcg/templates/qcg/job_submit_form.html
+++ b/qcg/templates/qcg/job_submit_form.html
@@ -25,13 +25,13 @@
         {% bootstrap_field form.retmin layout="horizontal" form_group_class="form-group collapse" %}
         {% bootstrap_field form.retmax layout="horizontal" form_group_class="form-group collapse" %}
         
-        <!-- {% bootstrap_field form.application layout="horizontal" %}
+        {% bootstrap_field form.application layout="horizontal" %}
         {% bootstrap_field form.master_file layout="horizontal" %}
         {% bootstrap_field form.executable layout="horizontal" form_group_class="form-group collapse" %}
         {% bootstrap_field form.script layout="horizontal" form_group_class="form-group collapse" %}
         {% bootstrap_field form.arguments layout="horizontal" %}
         {% bootstrap_field form.note layout="horizontal" %}
-        {% bootstrap_field form.grant layout="horizontal" form_group_class="form-group collapse" %} -->
+        {% bootstrap_field form.grant layout="horizontal" form_group_class="form-group collapse" %}
     </fieldset>
 
     <fieldset id="resources" class="tab-pane" role="tabpanel">