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sevyharrisrwest
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update isotopesTest to use correct family templates
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test/rmgpy/tools/isotopesTest.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -1090,7 +1090,7 @@ def test_generate_isotope_reactions(self):
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reactants=[methyl, methyl],
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products=[methane, craigie],
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family="H_Abstraction",
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template=["Xrad_H", "Y_rad"],
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template=['CH3_rad_H', 'C_methyl'],
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degeneracy=3,
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)
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reaction.kinetics = Arrhenius(A=(1e5, "cm^3/(mol*s)"), Ea=(0, "J/mol"))
@@ -1139,7 +1139,7 @@ def test_generate_isotope_reactions_limited_labeling(self):
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reactants=[ethyl, methane],
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products=[ethane, methyl],
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family="H_Abstraction",
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template=["C/H4", "Y_rad"],
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template=['C_methane', 'C_rad/H2/Cs\\H3'],
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degeneracy=4,
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)
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reaction.kinetics = Arrhenius(A=(1e5, "cm^3/(mol*s)"), Ea=(0, "J/mol"))

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