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):
APPLICATION_CHOICES = (
CHOICES_PLACEHOLDER,
('bash', 'BASH'),
- ('gromacs/4.6.3', 'GROMACS 4.6.3'),
- ('matlab', 'MATLAB'),
('python', 'Python'),
)
+
QUEUE_CHOICES = (
CHOICES_PLACEHOLDER,
('plgrid', 'plgrid'),
('xmpp', u'XMPP'),
)
+ 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)
+ 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)
+
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)
executable = forms.CharField(label=u"Plik wykonywalny", max_length=500, required=False)
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'])
+
@staticmethod
def _gsiftp_suffix(url):
if url:
return res;
}
- $('#id_master_file,#id_executable,#id_input,#id_preprocess_script,#id_postprocess_script').before(function() {
+ $('#id_master_file,#id_pdb_file,#id_executable,#id_input,#id_preprocess_script,#id_postprocess_script').before(function() {
var target = this;
return gridftpButton.clone().click(function() {
$('#select-btn').off().click(function() {
});
}).wrap('<div style="margin-right: 80px"></div>');
- $('#id_application').selectize();
+ $('#id_application,#id_force_field').selectize();
$('#id_arguments,#id_properties,#id_native').selectize({
plugins: ['remove_button'],
create: true,
<!-- Nav tabs -->
<ul class="nav nav-tabs" style="margin-bottom: 20px">
- <li role="presentation" class="active"><a href="#basic" data-toggle="tab">Podstawowe</a></li>
+ <li role="presentation" class="active"><a href="#basic" data-toggle="tab">MREMD</a></li>
<li role="presentation"><a href="#resources" data-toggle="tab">Zasoby</a></li>
<li role="presentation"><a href="#files" data-toggle="tab">Pliki</a></li>
<li role="presentation"><a href="#environment" data-toggle="tab">Środowisko</a></li>
<div class="tab-content">
<fieldset id="basic" class="tab-pane active" role="tabpanel">
- {% bootstrap_field form.application layout="horizontal" %}
+
+ {% bootstrap_field form.nstep layout="horizontal" %}
+ {% bootstrap_field form.ntwe layout="horizontal" form_group_class="form-group collapse" %}
+ {% bootstrap_field form.ntwx layout="horizontal" form_group_class="form-group collapse" %}
+ {% bootstrap_field form.dt layout="horizontal" form_group_class="form-group collapse" %}
+ {% bootstrap_field form.damax layout="horizontal" form_group_class="form-group collapse" %}
+ {% bootstrap_field form.force_field layout="horizontal" %}
+ {% 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.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">