Use the new uncertainty_si property to fix units bug in saving old da…

…tabase rules. This should close @GreenGroup/RMG-databaseReactionMechanismGenerator#21 ReactionMechanismGenerator/RMG-database#21 But there are probably other places the same bug exists (i.e. foo.uncertainty should be replaced with foo.uncertainty_si) Also, why don't any of the Quantity unit tests check uncertainties at all? Hmm...
pierrelb · Aug 29, 2013 · fed3b59 · fed3b59
1 parent f7beb20
commit fed3b59
Showing 1 changed file with 5 additions and 5 deletions.
diff --git a/rmgpy/data/kinetics/rules.py b/rmgpy/data/kinetics/rules.py
@@ -328,13 +328,13 @@ def saveOld(self, path, groups):
                             entry.data.E0.value_si / 4184.
                             ))
             if entry.data.A.isUncertaintyMultiplicative():
-                flib.write('*{0:<6g} '.format(entry.data.A.uncertainty))
+                flib.write('*{0:<6g} '.format(entry.data.A.uncertainty_si))
             else:
-                flib.write('{0:<7g} '.format(entry.data.A.uncertainty * factor))
+                flib.write('{0:<7g} '.format(entry.data.A.uncertainty_si * factor))
             flib.write('{0:6g} {1:6g} {2:6g} '.format(
-                            entry.data.n.uncertainty,
-                            entry.data.alpha.uncertainty,
-                            entry.data.E0.uncertainty / 4184.
+                            entry.data.n.uncertainty_si,
+                            entry.data.alpha.uncertainty_si,
+                            entry.data.E0.uncertainty_si / 4184.
                             ))
 
             if not entry.rank: