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[ctml2yaml] Add negative reaction orders option

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Bryan W. Weber
2019-12-01 21:07:40 -05:00
parent 88634a9964
commit 3e4d64abb0
2 changed files with 32 additions and 1 deletions
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interfaces/cython/cantera/ctml2yaml.py
+3
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@@ -666,6 +666,9 @@ class Reaction:
if orders:
reaction_attribs["orders"] = orders
if reaction.get("negative_orders") == "yes":
reaction_attribs["negative-orders"] = True
if reaction.get("duplicate", "") == "yes":
reaction_attribs["duplicate"] = True
interfaces/cython/cantera/test/test_convert.py
+29 -1
View File
@@ -955,6 +955,34 @@ class ctml2yamlTest(utilities.CanteraTest):
def test_chemically_activated(self):
ctml2yaml.convert(Path(self.test_data_dir).joinpath("chemically-activated-reaction.xml"),
Path(self.test_work_dir).joinpath("chemically-activated-reaction.yaml"))
ctmlGas, yamlGas = self.checkConversion('chemically-activated-reaction')
ctmlGas, yamlGas = self.checkConversion("chemically-activated-reaction")
self.checkThermo(ctmlGas, yamlGas, [300, 500, 1300, 2000])
self.checkKinetics(ctmlGas, yamlGas, [900, 1800], [2e5, 20e5])
def test_explicit_forward_order(self):
ctml2yaml.convert(Path(self.test_data_dir).joinpath("explicit-forward-order.xml"),
Path(self.test_work_dir).joinpath("explicit-forward-order.yaml"))
ctmlGas, yamlGas = self.checkConversion("explicit-forward-order")
self.checkThermo(ctmlGas, yamlGas, [300, 500, 1300, 2000])
self.checkKinetics(ctmlGas, yamlGas, [900, 1800], [2e5, 20e5])
def test_explicit_reverse_rate(self):
ctml2yaml.convert(Path(self.test_data_dir).joinpath("explicit-reverse-rate.xml"),
Path(self.test_work_dir).joinpath("explicit-reverse-rate.yaml"))
ctmlGas, yamlGas = self.checkConversion("explicit-reverse-rate")
self.checkThermo(ctmlGas, yamlGas, [300, 500, 1300, 2000])
self.checkKinetics(ctmlGas, yamlGas, [900, 1800], [2e5, 20e5])
def test_explicit_third_bodies(self):
ctml2yaml.convert(Path(self.test_data_dir).joinpath("explicit-third-bodies.xml"),
Path(self.test_work_dir).joinpath("explicit-third-bodies.yaml"))
ctmlGas, yamlGas = self.checkConversion("explicit-third-bodies")
self.checkThermo(ctmlGas, yamlGas, [300, 500, 1300, 2000])
self.checkKinetics(ctmlGas, yamlGas, [900, 1800], [2e5, 20e5])
def test_fractional_stoich_coeffs(self):
ctml2yaml.convert(Path(self.test_data_dir).joinpath("frac.xml"),
Path(self.test_work_dir).joinpath("frac.yaml"))
ctmlGas, yamlGas = self.checkConversion("frac")
self.checkThermo(ctmlGas, yamlGas, [300, 500, 1300, 2000])
self.checkKinetics(ctmlGas, yamlGas, [900, 1800], [2e5, 20e5])