def test_species_thermo(self):
"""Test thermo job execution for species from separate input file."""
input.thermo('C2H4', 'NASA')
job = job_list[-1]
filepath = os.path.join(self.directory, 'reactions', 'H+C2H4=C2H5')
job.execute(output_directory=filepath)
self.assertTrue(os.path.isfile(os.path.join(filepath, 'output.py')))
self.assertTrue(os.path.isfile(os.path.join(filepath, 'chem.inp')))
os.remove(os.path.join(filepath, 'output.py'))
os.remove(os.path.join(filepath, 'chem.inp'))
def testSpeciesThermo(self):
"""Test thermo job execution for species from separate input file."""
input.thermo('C2H4', 'NASA')
job = jobList[-1]
filepath = os.path.join(self.directory, 'reactions', 'H+C2H4=C2H5', 'output.py')
job.execute(outputFile=filepath)
self.assertTrue(os.path.isfile(os.path.join(os.path.dirname(filepath), 'output.py')))
self.assertTrue(os.path.isfile(os.path.join(os.path.dirname(filepath), 'chem.inp')))
os.remove(os.path.join(os.path.dirname(filepath), 'output.py'))
os.remove(os.path.join(os.path.dirname(filepath), 'chem.inp'))