Merge pull request #119 from ReactionMechanismGenerator/fix_ipynb

update ipynb which uses generateThermoData
ReactionMechanismGenerator · Jul 28, 2016 · cb7ecc5 · cb7ecc5
2 parents f69db91 + 2306952
commit cb7ecc5
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/scripts/showNewTrainingRxnsImprovements.ipynb b/scripts/showNewTrainingRxnsImprovements.ipynb
@@ -166,11 +166,11 @@
     "            continue\n",
     "        for idx, spec in enumerate(fam_rxn.reactants):\n",
     "            spec = Species(label=spec.label, molecule=spec.molecule)\n",
-    "            spec.generateThermoData(database)\n",
+    "            spec.getThermoData()\n",
     "            fam_rxn.reactants[idx] = spec\n",
     "        for idx, spec in enumerate(fam_rxn.products):\n",
     "            spec = Species(label=spec.label, molecule=spec.molecule)\n",
-    "            spec.generateThermoData(database)\n",
+    "            spec.getThermoData()\n",
     "            fam_rxn.products[idx] = spec\n",
     "\n",
     "        family = getFamilyLibraryObject(fam_rxn.family)\n",