dmsaylor commited on
Commit
7fe9b1a
·
1 Parent(s): f242067

increased ceramic detection MP to 1000 C ... just in case

Browse files
Files changed (1) hide show
  1. exposure_module/exposure.py +1 -1
exposure_module/exposure.py CHANGED
@@ -62,7 +62,7 @@ def exp_post():
62
  cas=cas, smiles=smiles, molImage=molImage,
63
  LogP_origin=LogP_origin, rho_origin=rho_origin, mp_origin=mp_origin)
64
  else:
65
- if (type(mp) is float or type(mp) is int) and mp > 500.:
66
 
67
  # more than one atom, or carbon -> assumed ceramic
68
  # TODO say something about what we're doing on report? (e.g. 'detected ceramic, setting MW = 1100')
 
62
  cas=cas, smiles=smiles, molImage=molImage,
63
  LogP_origin=LogP_origin, rho_origin=rho_origin, mp_origin=mp_origin)
64
  else:
65
+ if (type(mp) is float or type(mp) is int) and mp > 1000.:
66
 
67
  # more than one atom, or carbon -> assumed ceramic
68
  # TODO say something about what we're doing on report? (e.g. 'detected ceramic, setting MW = 1100')