From: Cezary Czaplewski Date: Wed, 2 Sep 2020 22:43:55 +0000 (+0200) Subject: preparation for number of clusters <> 5 X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=4c5318f2d2b714d84576c5493f9678122d6875a2;p=django_unres.git preparation for number of clusters <> 5 --- diff --git a/django_simple/todo/models.py b/django_simple/todo/models.py index aa1cf8d..5629bf5 100644 --- a/django_simple/todo/models.py +++ b/django_simple/todo/models.py @@ -85,6 +85,7 @@ class Task(models.Model): remd_model3 = models.TextField(default='') remd_model4 = models.TextField(default='') remd_model5 = models.TextField(default='') + remd_models = models.TextField(default='') #saxs scal_rad = models.FloatField(default=1.0) diff --git a/django_simple/todo/templates/details.html b/django_simple/todo/templates/details.html index bbdebb8..9fd9a03 100644 --- a/django_simple/todo/templates/details.html +++ b/django_simple/todo/templates/details.html @@ -1,5 +1,6 @@ {% extends "base.html" %} +{% load index %} {% load i18n lazysignup_tags %} {% block content %} @@ -636,188 +637,45 @@ Created {{ task.created_date }} - + + {% for iii in "12345" %} + + {% with istr=forloop.counter|stringformat:"s" %} + {% with MODELi="MODEL"|add:istr|add:".pdb" %} + {% with viewporti="viewport_M"|add:istr %} + {% with toggleRefi="toggleRefM"|add:istr %} + {% with toggleSidechainsi="toggleSidechainsM"|add:istr %} +
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    model1 - {% if not task.damino %} - after conversion to allatom - {% endif %} - {{ task.remd_model1|linebreaks }} - NGL viewer
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    model2 - {% if not task.damino %} - after conversion to allatom - {% endif %} - {{ task.remd_model2|linebreaks }} - NGL viewer
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    model3 - {% if not task.damino %} - after conversion to allatom - {% endif %} - {{ task.remd_model3|linebreaks }} - NGL viewer
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    - {% if task.md_pdbref %} - - {% endif %} - - Download -
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    model4 - {% if not task.damino %} - after conversion to allatom - {% endif %} - {{ task.remd_model4|linebreaks }} - NGL viewer
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    - {% if task.md_pdbref %} - - {% endif %} - - Download -
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    model5 +
    model {{ iii }} {% if not task.damino %} after conversion to allatom {% endif %} - {{ task.remd_model5|linebreaks }} + {{ remd_models|index:forloop.counter|linebreaks }} NGL viewer
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  • {% if task.md_pdbref %} - + {% endif %} - + Download + href="/myfiles/download-file/{{task.jobdirname}}/{{MODELi}}">Download
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    + {% endwith %} + {% endwith %} + {% endwith %} + {% endwith %} + {% endwith %} + {% endfor %} + {% endif %} {% endif %} @@ -840,8 +698,9 @@ $('.majorpointslegend').click(function(){ {% if task.type == "remd" or task.type == "dock" %} diff --git a/django_simple/todo/templatetags/__init__.py b/django_simple/todo/templatetags/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/django_simple/todo/templatetags/index.py b/django_simple/todo/templatetags/index.py new file mode 100644 index 0000000..07353ad --- /dev/null +++ b/django_simple/todo/templatetags/index.py @@ -0,0 +1,7 @@ +from django import template +register = template.Library() + +@register.filter +def index(indexable, i): + return indexable[i-1] + \ No newline at end of file diff --git a/django_simple/todo/views.py b/django_simple/todo/views.py index e819090..bd70a61 100644 --- a/django_simple/todo/views.py +++ b/django_simple/todo/views.py @@ -975,7 +975,16 @@ def addmlist(request,task_id): @login_required def details(request,task_id): task = get_object_or_404(Task, id=task_id) - return render(request, "details.html",{'task':task}) + try: + remd_models=json.loads(task.remd_models) + except: + remd_models=[] + remd_models.append(task.remd_model1) + remd_models.append(task.remd_model2) + remd_models.append(task.remd_model3) + remd_models.append(task.remd_model4) + remd_models.append(task.remd_model5) + return render(request, "details.html",{'task':task,'remd_models':remd_models}) def details1(request,user_id,task_id): @@ -1153,20 +1162,12 @@ def refresh_done0(task): if task.md_pdbref and task.type=='remd' or task.type=='dock' and task.md_seq2 == '': + remd_models=[] for i in range(1,6): try: with open(task.jobdirname+'/file_wham_T'+str(int(task.remd_cluter_temp))+'K_000'+str(i)+'.pdb', 'r') as f: line=f.readline() - if i==1: - task.remd_model1='Cluster1 '+' '.join(line.split()[-3:]) - elif i==2: - task.remd_model2='Cluster2 '+' '.join(line.split()[-3:]) - elif i==3: - task.remd_model3='Cluster3 '+' '.join(line.split()[-3:]) - elif i==4: - task.remd_model4='Cluster4 '+' '.join(line.split()[-3:]) - elif i==5: - task.remd_model5='Cluster5 '+' '.join(line.split()[-3:]) + remd_models.append('Cluster'+str(i)+' '.join(line.split()[-3:])) except EnvironmentError: print 'file_wham_T*pdb open error' for i in range(1,6): @@ -1180,16 +1181,7 @@ def refresh_done0(task): if 'GDT-TS-score=' in line: text=text+' GDT_TS='+line.split()[1] - if i==1: - task.remd_model1=task.remd_model1+text - elif i==2: - task.remd_model2=task.remd_model2+text - elif i==3: - task.remd_model3=task.remd_model3+text - elif i==4: - task.remd_model4=task.remd_model4+text - elif i==5: - task.remd_model5=task.remd_model5+text + remd_models[i-1]=remd_models[i-1]+text if task.type=='dock': for i in range(1,6): @@ -1209,16 +1201,7 @@ def refresh_done0(task): if 'DockQ ' in line: text=text+' DockQ='+line.split()[1] - if i==1: - task.remd_model1=task.remd_model1+text - elif i==2: - task.remd_model2=task.remd_model2+text - elif i==3: - task.remd_model3=task.remd_model3+text - elif i==4: - task.remd_model4=task.remd_model4+text - elif i==5: - task.remd_model5=task.remd_model5+text + remd_models[i-1]=remd_models[i-1]+text if task.type=='remd' or task.type=='dock': @@ -1231,18 +1214,12 @@ def refresh_done0(task): i+=1 if i>6: break - if i==1: - task.remd_model1=task.remd_model1+' Cluster1 probability= '+line1.split()[-2] - elif i==2: - task.remd_model2=task.remd_model2+' Cluster2 probability= '+line1.split()[-2] - elif i==3: - task.remd_model3=task.remd_model3+' Cluster3 probability= '+line1.split()[-2] - elif i==4: - task.remd_model4=task.remd_model4+' Cluster4 probability= '+line1.split()[-2] - elif i==5: - task.remd_model5=task.remd_model5+' Cluster5 probability= '+line1.split()[-2] + try: + remd_models[i-1]=remd_models[i-1]+' Cluster'+str(i)+'probability= '+line1.split()[-2] + except: + print i - + task.remd_models=json.dumps(remd_models) task.save() elif os.path.isfile(task.jobdirname+'/file_GB000.stat') and not task.done: