X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=django_simple%2Ftodo%2Fmodels.py;h=765e3c635b36ccaf09b99ac1f99f9694b22599f8;hb=a3b7f27a81cf442cdeeaff5b9c9b52298c282f5a;hp=ee5431457de05d5c52ad564381c5a2afae2c5674;hpb=a6e111e381a874bd15dd6dcb33fdeb18079e3286;p=django_unres.git

diff --git a/django_simple/todo/models.py b/django_simple/todo/models.py
index ee54314..765e3c6 100644
--- a/django_simple/todo/models.py
+++ b/django_simple/todo/models.py
@@ -9,7 +9,7 @@ import json
 MIN_CHOICE = (('minimize cart','minimize'),('minimize regular','regularize'),('minimize softreg','soft regularize'),('minimize','minimize internal coordinates'))
 MD_START= (('extconf','extended chain'),('pdbstart','start from pdb'),('rand_conf','random chain'))
 MD_LANG = (('langevin','Langevin'),('berendsen','Berendsen'))
-FF_CHOICE = (('E0LL2Y','JCC 30 2127 (2009) + JCTC 11 817831 (2015)'),('opt-wtfsa-2','JCIM 10.1021/acs.jcim.7b00254 (2017)'))
+FF_CHOICE = (('FF2','FF2 = JCC 30 2127 (2009) + JCTC 11 817-831 (2015)'),('opt-wtfsa-2','OPT-WTFSA-2 = JCIM 57 2364-2377 (2017)'))
 
 logger = logging.getLogger(__name__)
 
@@ -29,8 +29,8 @@ class Task(models.Model):
 #    def getssbond(self):
 #       return json.loads(self.ssbond)
 
-    unres_ff = models.CharField(max_length=20,choices=FF_CHOICE,default='E0LL2Y')
-    pdbcode = models.CharField(max_length=4,default='')
+    unres_ff = models.CharField(max_length=20,choices=FF_CHOICE,default='FF2')
+    pdbcode = models.CharField(max_length=6,default='')
 # minimization
     min_choice = models.CharField(max_length=20,choices=MIN_CHOICE,default='minimize cart')
     min_overlap = models.BooleanField(default=False)
@@ -83,7 +83,7 @@ class Task(models.Model):
 
 #saxs
     scal_rad = models.FloatField(default=1.0)
-    wsaxs = models.FloatField(default=100.0)
+    wsaxs = models.FloatField(default=1000.0)
     saxs_data = models.TextField(max_length=10000,default='')
         
     
@@ -95,6 +95,7 @@ class Task(models.Model):
     owner = models.ForeignKey(User,default=1)
     created_date = models.DateTimeField(default=timezone.now)
     jobdirname = models.CharField(max_length=100,default='')
+    example = models.CharField(max_length=10,default='')
     
     def __str__(self):
         if self.done: