X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=django_simple%2Ftodo%2Fmodels.py;h=da15522f14eed0b246e1e32ef78a976217dd398b;hb=d51b9e6359312be9fd4294b6262b786ba637813c;hp=d206b37e785d09b35a946a25cbd23b87fe4aa5b8;hpb=00fcf7b84f8d27f314f1e5a6296e402ec6252bc1;p=django_unres.git

diff --git a/django_simple/todo/models.py b/django_simple/todo/models.py
index d206b37..da15522 100644
--- a/django_simple/todo/models.py
+++ b/django_simple/todo/models.py
@@ -30,6 +30,7 @@ class Task(models.Model):
 #       return json.loads(self.ssbond)
 
     unres_ff = models.CharField(max_length=20,choices=FF_CHOICE,default='E0LL2Y')
+    pdbcode = models.CharField(max_length=4,default='')
 # minimization
     min_choice = models.CharField(max_length=20,choices=MIN_CHOICE,default='minimize cart')
     min_overlap = models.BooleanField(default=False)
@@ -39,6 +40,9 @@ class Task(models.Model):
     min_pdbout = models.BooleanField(default=True)
     myfile1 = models.FileField(default='',upload_to=user_directory_path)    
     min_unres_pdb = models.BooleanField(default=False)
+    boxx = models.FloatField(default=1000.0)
+    boxy = models.FloatField(default=1000.0)
+    boxz = models.FloatField(default=1000.0)
 
 # minimization output
     etot = models.FloatField(default=0)
@@ -75,6 +79,12 @@ class Task(models.Model):
     remd_model3 = models.TextField(default='')
     remd_model4 = models.TextField(default='')
     remd_model5 = models.TextField(default='')
+
+#saxs
+    scal_rad = models.FloatField(default=1.0)
+    wsaxs = models.FloatField(default=100.0)
+    saxs_data = models.TextField(max_length=10000,default='')
+        
     
 # system    
     ready = models.BooleanField(default=False)