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Merge pull request #119 from ReactionMechanismGenerator/fix_ipynb
update ipynb which uses generateThermoData
2 parents f69db91 + 2306952 commit cb7ecc5

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Lines changed: 2 additions & 2 deletions

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scripts/showNewTrainingRxnsImprovements.ipynb

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -166,11 +166,11 @@
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" continue\n",
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" for idx, spec in enumerate(fam_rxn.reactants):\n",
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" spec = Species(label=spec.label, molecule=spec.molecule)\n",
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" spec.generateThermoData(database)\n",
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" spec.getThermoData()\n",
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" fam_rxn.reactants[idx] = spec\n",
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" for idx, spec in enumerate(fam_rxn.products):\n",
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" spec = Species(label=spec.label, molecule=spec.molecule)\n",
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" spec.generateThermoData(database)\n",
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" spec.getThermoData()\n",
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" fam_rxn.products[idx] = spec\n",
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"\n",
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" family = getFamilyLibraryObject(fam_rxn.family)\n",

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