X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=django_simple%2Ftodo%2Fviews.py;h=0edb463c6e72335ba1957f93a41504e5fb90e652;hb=44795ccd472cf97e058eff3e635f4a8c6b3ba58f;hp=45c3f249228a5b5b2d8e382128611b792a9e1264;hpb=dba81b20d73a540f7056106a48919937c1c65d4d;p=django_unres.git

diff --git a/django_simple/todo/views.py b/django_simple/todo/views.py
index 45c3f24..0edb463 100644
--- a/django_simple/todo/views.py
+++ b/django_simple/todo/views.py
@@ -9,6 +9,7 @@ import subprocess
 import json
 from lazysignup.decorators import allow_lazy_user
 from lazysignup.utils import is_lazy_user
+import random
 
 res_codes = [
                 # 20 canonical amino acids
@@ -277,7 +278,7 @@ def add_md(request,task_id):
     if request.method == 'POST':
      if '_example' in request.POST:
         data= {'name':task.name,'pdbid':'1IGD','md_start':'pdbstart',
-        'md_pdbref':True,'md_temp':200}
+        'md_pdbref':True,'md_temp':200,'md_seed':-39912345}
         form = TaskForm_md(initial=data)     
      else:
         form = TaskForm_md(request.POST,request.FILES)
@@ -321,7 +322,7 @@ def add_md(request,task_id):
              else:
               return redirect('/')
     else:
-        data= {'name':task.name}
+        data= {'name':task.name,'md_seed':-random.randint(10000000,99999999)}
         form = TaskForm_md(initial=data)
     basic_adv=True
     p_type='molecular dynamics'
@@ -333,7 +334,7 @@ def add_md_a(request,task_id):
     if request.method == 'POST':
      if '_example' in request.POST:
         data= {'name':task.name,'pdbid':'1L2Y','md_start':'extconf',
-         'md_pdbref':True,'md_mdpdb':True}
+         'md_pdbref':True,'md_mdpdb':True,'md_seed':-39912345}
         form = TaskForm_md_a(initial=data)     
      else:
         form = TaskForm_md_a(request.POST,request.FILES)
@@ -394,7 +395,7 @@ def add_md_a(request,task_id):
              else:
               return redirect('/')
     else:
-        data= {'name':task.name}
+        data= {'name':task.name,'md_seed':-random.randint(10000000,99999999)}
         form = TaskForm_md_a(initial=data)
     basic_adv=False
     p_type='molecular dynamics - advanced options'
@@ -405,7 +406,7 @@ def add_remd(request,task_id):
     task = get_object_or_404(Task, id=task_id)
     if request.method == 'POST':
      if '_example' in request.POST:
-        data= {'name':task.name,'pdbid':'1L2Y','md_pdbref':True}
+        data= {'name':task.name,'pdbid':'1L2Y','md_pdbref':True,'md_seed':-39912345}
         form = TaskForm_remd(initial=data)     
      else:
         form = TaskForm_remd(request.POST,request.FILES)
@@ -452,7 +453,7 @@ def add_remd(request,task_id):
              else:
               return redirect('/')
     else:
-        data= {'name':task.name}
+        data= {'name':task.name,'md_seed':-random.randint(10000000,99999999)}
         form = TaskForm_remd(initial=data)
     basic_adv=True
     p_type='replica exchange molecular dynamics'
@@ -465,14 +466,14 @@ def add_remd_a(request,task_id):
     if request.method == 'POST':
      if '_example' in request.POST:
         data= {'name':task.name,'pdbid':'5G3Q:B','md_pdbref':True,
-         'md_nstep':2000000,'md_lang':'berendsen','unres_ff':'FF2',
+         'md_nstep':2000000,'md_lang':'berendsen','unres_ff':'FF2','md_seed':-39912345,
          'remd_cluter_temp':290,'md_2d':'--EEEEEEE------EEEEEE------EEEEEE------HHHHHHHHHHH---HHHHHHHHHHHHHHHHHHHHHHH---'}
         form = TaskForm_remd_a(initial=data)    
         task.example='casp12'
         task.save() 
      elif '_example_saxs' in request.POST:
         data= {'name':task.name,'pdbid':'5UJQ','md_pdbref':True,
-         'md_nstep':200000,'md_lang':'langevin','unres_ff':'FF2',
+         'md_nstep':200000,'md_lang':'langevin','unres_ff':'FF2','md_seed':-39912345,
          'remd_cluter_temp':270, 
          'scal_rad':4.0,'wsaxs':100.0,'saxs_data':
 """ 0.5     1.33868e-02
@@ -575,7 +576,7 @@ def add_remd_a(request,task_id):
              task.save()
              return redirect('addmlist',task_id=task.id)
     else:
-        data= {'name':task.name}
+        data= {'name':task.name,'md_seed':-random.randint(10000000,99999999)}
         form = TaskForm_remd_a(initial=data)
     basic_adv=False
     p_type='replica exchange molecular dynamics - advanced options'