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check thermo_coverage_dependence is not empty
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test/rmgpy/thermo/convertTest.py

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@@ -132,6 +132,7 @@ def test_convert_wilhoit_to_nasa(self):
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s_nasa = nasa.get_entropy(T)
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assert abs(s_nasa - s_wilhoit) < 1e0
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assert abs(wilhoit.E0.value_si - nasa.E0.value_si) < 1e1
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assert repr(nasa.thermo_coverage_dependence) != {}
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assert repr(nasa.thermo_coverage_dependence) == repr(wilhoit.thermo_coverage_dependence)
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def test_convert_wilhoit_to_thermo_data(self):
@@ -153,6 +154,7 @@ def test_convert_wilhoit_to_thermo_data(self):
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s_thermodata = thermodata.get_entropy(T)
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assert round(abs(s_thermodata - s_wilhoit), 4) == 0
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assert abs(wilhoit.E0.value_si - thermodata.E0.value_si) < 1e1
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assert repr(thermodata.thermo_coverage_dependence) != {}
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assert repr(thermodata.thermo_coverage_dependence) == repr(wilhoit.thermo_coverage_dependence)
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def test_convert_nasa_to_wilhoit(self):
@@ -173,6 +175,7 @@ def test_convert_nasa_to_wilhoit(self):
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s_nasa = nasa.get_entropy(T)
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assert abs(s_nasa - s_wilhoit) < 1e0
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assert abs(nasa.E0.value_si - wilhoit.E0.value_si) < 2e1
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assert repr(wilhoit.thermo_coverage_dependence) != {}
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assert repr(wilhoit.thermo_coverage_dependence) == repr(nasa.thermo_coverage_dependence)
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def test_convert_nasa_to_thermo_data(self):
@@ -194,6 +197,7 @@ def test_convert_nasa_to_thermo_data(self):
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s_nasa = nasa.get_entropy(T)
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assert round(abs(s_nasa - s_thermodata), 4) == 0
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assert abs(nasa.E0.value_si - thermodata.E0.value_si) < 1e1
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assert repr(thermodata.thermo_coverage_dependence) != {}
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assert repr(thermodata.thermo_coverage_dependence) == repr(nasa.thermo_coverage_dependence)
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def test_convert_thermo_data_to_wilhoit(self):
@@ -215,6 +219,7 @@ def test_convert_thermo_data_to_wilhoit(self):
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s_thermodata = thermodata.get_entropy(T)
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assert round(abs(s_thermodata - s_wilhoit), 3) == 0
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assert abs(thermodata.E0.value_si - wilhoit.E0.value_si) < 1e1
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assert repr(wilhoit.thermo_coverage_dependence) != {}
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assert repr(wilhoit.thermo_coverage_dependence) == repr(thermodata.thermo_coverage_dependence)
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def test_convert_thermo_data_to_nasa(self):
@@ -236,6 +241,7 @@ def test_convert_thermo_data_to_nasa(self):
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s_nasa = nasa.get_entropy(T)
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assert abs(s_nasa - s_thermodata) < 1e0
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assert abs(thermodata.E0.value_si - nasa.E0.value_si) < 1e1
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assert repr(nasa.thermo_coverage_dependence) != {}
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assert repr(nasa.thermo_coverage_dependence) == repr(thermodata.thermo_coverage_dependence)
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def test_wilhoit_nasa_wilhoit(self):
@@ -257,6 +263,7 @@ def test_wilhoit_nasa_wilhoit(self):
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s_2 = wilhoit2.get_entropy(T)
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assert abs(s_1 - s_2) < 1e0
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assert abs(wilhoit1.E0.value_si - wilhoit2.E0.value_si) < 1e1
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assert repr(wilhoit1.thermo_coverage_dependence) != {}
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assert repr(wilhoit1.thermo_coverage_dependence) == repr(wilhoit2.thermo_coverage_dependence)
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def test_wilhoit_thermo_data_wilhoit(self):
@@ -278,4 +285,5 @@ def test_wilhoit_thermo_data_wilhoit(self):
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s_2 = wilhoit2.get_entropy(T)
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assert abs(s_1 - s_2) < 1e0
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assert abs(wilhoit1.E0.value_si - wilhoit2.E0.value_si) < 1e1
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assert repr(wilhoit1.thermo_coverage_dependence) != {}
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assert repr(wilhoit1.thermo_coverage_dependence) == repr(wilhoit2.thermo_coverage_dependence)

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