From bb22ef5ff00541b1e6c248b780bad42d591d2382 Mon Sep 17 00:00:00 2001 From: =?utf8?q?Dawid=20Jagie=C5=82a?= Date: Mon, 7 Sep 2015 16:03:46 +0200 Subject: [PATCH] dodane pole z sekwencja --- qcg/forms.py | 2 ++ qcg/templates/qcg/job_submit_form.html | 7 ++++--- qcg/views.py | 13 +++++++++++++ 3 files changed, 19 insertions(+), 3 deletions(-) diff --git a/qcg/forms.py b/qcg/forms.py index 491ad30..3427317 100644 --- a/qcg/forms.py +++ b/qcg/forms.py @@ -126,6 +126,8 @@ class JobDescriptionForm(forms.Form): 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", widget=forms.Textarea(attrs={'rows': 2, 'cols': 40}), required=False) + application = forms.ChoiceField(choices=APPLICATION_CHOICES, label=u"Aplikacja", required=False, initial='unres-gab') # TODO choices master_file = forms.CharField(label=u"Plik główny", max_length=500, required=False) diff --git a/qcg/templates/qcg/job_submit_form.html b/qcg/templates/qcg/job_submit_form.html index 69ad5c8..f44c109 100644 --- a/qcg/templates/qcg/job_submit_form.html +++ b/qcg/templates/qcg/job_submit_form.html @@ -21,17 +21,18 @@ {% 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.sequence 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.master_file layout="horizontal" %} - {% bootstrap_field form.application layout="horizontal" %} +
diff --git a/qcg/views.py b/qcg/views.py index dfeebd3..5e8f0a0 100644 --- a/qcg/views.py +++ b/qcg/views.py @@ -187,6 +187,16 @@ def process_details(request, job, task=None): return {'job': job, 'task': task, 'form': form, 'env_formset': env_formset, 'template_form': template_form} +def generate_mremd_inputfile(params, mremd_input): + mremd_input = list() + opis=params['note'] + mremd_input.append(opis[:73]) + mremd_input.append('SEED=-3059743 PDBREF MD EXTCONF RESCALE_MODE=2') + + + + + return mremd_input @login_required def job_submit(request, template_id=None): @@ -210,6 +220,9 @@ def job_submit(request, template_id=None): for env in env_formset.cleaned_data if env and not env['DELETE']] # tu wygenerować plik inputowy i go uploadować? + mremd_input=list() + print generate_mremd_inputfile(params,mremd_input) + params['persistent'] = True # Debugging parametrów -- 1.7.9.5