changelog page added

[django_unres.git] / django_simple / todo / views.py

diff --git a/django_simple/todo/views.py b/django_simple/todo/views.py
index c513fbf..a29ae69 100644 (file)
--- a/django_simple/todo/views.py
+++ b/django_simple/todo/views.py
@@ -20,16 +20,21 @@ res_codes = [
                 ('HSD', 'H'),('HSE', 'H'),('HSP', 'H'),
                 ('HIE', 'H'), ('HID', 'H'),('HIP', 'H'),
                 ('CYX', 'C'),
+                ('DCY', 'c'), ('DAS', 'd'), ('DSN', 's'), ('DGN', 'q'),
+                ('DLY', 'k'), ('DIL', 'i'), ('DPR', 'p'), ('DTH', 't'),
+                ('DPN', 'f'), ('DSG', 'n'), ('DHI', 'h'),
+                ('DLE', 'l'), ('DAR', 'r'), ('DTR', 'w'), ('DAL', 'a'),
+                ('DVA', 'v'), ('DGL', 'e'), ('DTY', 'y'), ('MED', 'm'),                
                ]
 
 three_to_one = dict(res_codes)
 
 def seq_add_x(sequence):
-    if sequence[0] != 'G':
+    if sequence[0] != 'G' and sequence[0] != 'g':
         sequence='X'+sequence
-    if sequence[-1] != 'G':
+    if sequence[-1] != 'G' and sequence[-1] != 'g':
         sequence=sequence+'X'
-    set ='CDSQKIPTFNGHLRWAVEYMX'
+    set ='CDSQKIPTFNGHLRWAVEYMXcdsqkiptfnghlrwaveym'
     sequence = ''.join([c for c in sequence if c in set])
 
     return(sequence)    
@@ -105,7 +110,7 @@ def index(request):
     tasks = Task.objects.filter(owner=user).order_by('-created_date')
     variable = ''
     return render(request, "index.html", {
-            'tasks': tasks
+            'tasks': tasks, 'alldone': 0
         })
 
 @login_required
@@ -332,6 +337,7 @@ def add_md_a(request,task_id):
              task.md_scal_fric=form.cleaned_data["md_scal_fric"]
              task.md_mdpdb=form.cleaned_data["md_mdpdb"]
              task.unres_ff=form.cleaned_data["unres_ff"]
+             task.md_respa=form.cleaned_data["md_respa"]             
              task.boxx=form.cleaned_data["boxx"]
              task.boxy=form.cleaned_data["boxy"]             
              task.boxz=form.cleaned_data["boxz"]             
@@ -506,6 +512,7 @@ def add_remd_a(request,task_id):
              task.remd_nstex=form.cleaned_data["remd_nstex"]
              task.md_ntwx=form.cleaned_data["md_ntwx"]             
              task.md_ntwe=form.cleaned_data["md_ntwe"]
+             task.md_respa=form.cleaned_data["md_respa"]
 #             task.remd_traj1file=form.cleaned_data["remd_traj1file"]
 #             task.remd_rest1file=form.cleaned_data["remd_rest1file"]
 
@@ -601,8 +608,11 @@ def refresh_done1(request, task_id):
 def refresh_done(request):
     user = request.user
     tasks = Task.objects.filter(owner=user).order_by('-created_date')
+    alldone = 1
     for task in tasks:
       refresh_done0(task)
+      if not task.done:
+         alldone=0
 
     proc = subprocess.Popen('/opt/torque/bin/qstat', stdout=subprocess.PIPE)
     njob=0
@@ -620,7 +630,8 @@ def refresh_done(request):
     else:
      return render(request, "index.html", {
                 'tasks': tasks ,
-                'variable' : variable
+                'variable' : variable,
+                'alldone': alldone
                         })