APPLICATION_CHOICES = (
CHOICES_PLACEHOLDER,
- ('bash', 'BASH'),
- ('python', 'Python'),
+ ('unres32', 'UNRES 3.2'),
)
QUEUE_CHOICES = (
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)
}
}
});
- $('#id_modules,#id_hosts,#id_master_file,#id_pdb_file,#id_executable,#id_input,#id_stage_in,#id_preprocess_script,#id_postprocess_script').selectize({
+
+ $('#id_modules,#id_hosts,#id_pdb_file,#id_master_file,#id_executable,#id_input,#id_stage_in,#id_preprocess_script,#id_postprocess_script').selectize({
+
plugins: ['remove_button']
});
{% bootstrap_field form.nrep layout="horizontal" %}
{% bootstrap_field form.nstex layout="horizontal" form_group_class="form-group collapse" %}
{% bootstrap_field form.pdb_file layout="horizontal" %}
+
+ {% 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.master_file layout="horizontal" %}
<!-- {% bootstrap_field form.application 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">