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restart for md and remd
[django_unres.git]
/
django_simple
/
todo
/
models.py
diff --git
a/django_simple/todo/models.py
b/django_simple/todo/models.py
index
1c07a2c
..
0291472
100644
(file)
--- a/
django_simple/todo/models.py
+++ b/
django_simple/todo/models.py
@@
-17,6
+17,10
@@
def user_directory_path(instance, filename):
# file will be uploaded to MEDIA_ROOT/<jobdirname>/plik.pdb
return '{0}/{1}'.format(instance.jobdirname, 'plik.pdb')
# file will be uploaded to MEDIA_ROOT/<jobdirname>/plik.pdb
return '{0}/{1}'.format(instance.jobdirname, 'plik.pdb')
+def user_directory_path2(instance, filename):
+ # file will be uploaded to MEDIA_ROOT/<jobdirname>/plik2.pdb
+ return '{0}/{1}'.format(instance.jobdirname, 'plik2.pdb')
+
# Create your models here.
class Task(models.Model):
# Create your models here.
class Task(models.Model):
@@
-66,6
+70,7
@@
class Task(models.Model):
md_mdpdb = models.BooleanField(default=False)
md_seq = models.TextField(max_length=2000,default='')
md_2d = models.TextField(max_length=2000,default='')
md_mdpdb = models.BooleanField(default=False)
md_seq = models.TextField(max_length=2000,default='')
md_2d = models.TextField(max_length=2000,default='')
+ md_total_steps = models.IntegerField(default=200000)
#remd
remd_nrep = models.IntegerField(default=8)
#remd
remd_nrep = models.IntegerField(default=8)
@@
-83,9
+88,12
@@
class Task(models.Model):
#saxs
scal_rad = models.FloatField(default=1.0)
#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='')
saxs_data = models.TextField(max_length=10000,default='')
-
+
+#dock
+ myfile2 = models.FileField(default='',upload_to=user_directory_path2)
+ pdbcode2 = models.CharField(max_length=6,default='')
# system
ready = models.BooleanField(default=False)
# system
ready = models.BooleanField(default=False)
@@
-96,6
+104,7
@@
class Task(models.Model):
created_date = models.DateTimeField(default=timezone.now)
jobdirname = models.CharField(max_length=100,default='')
example = models.CharField(max_length=10,default='')
created_date = models.DateTimeField(default=timezone.now)
jobdirname = models.CharField(max_length=100,default='')
example = models.CharField(max_length=10,default='')
+ damino = models.BooleanField(default=False)
def __str__(self):
if self.done:
def __str__(self):
if self.done: