def test_fail_superfluous_arguments(self):
'''Failing due to superfluous arguments.'''
infile = self.get_input('h2o.gen')
outfile = self.get_output('h2o.isostrain.gen')
cmdargs = ['-o', outfile, infile, '10', 'something']
with self.assertRaises(ScriptError):
straingen.main(cmdargs)
def test_fail_invalid_option(self):
'''Failing due to invalid option argument'''
infile = self.get_input('h2o.gen')
outfile = self.get_output('h2o.isostrain.gen')
cmdargs = ['-o', outfile, '-c', 'zx', infile, '10']
with self.assertRaises(ScriptError):
straingen.main(cmdargs)
def test_fail_missing_two_arguments(self):
'''Failing due to missing argument.'''
infile = self.get_input('h2o.gen')
outfile = self.get_output('h2o.isostrain.gen')
cmdargs = ['-o', outfile]
with self.assertRaises(ScriptError):
straingen.main(cmdargs)
def test_SuperStrain(self):
'''Supercell with positive isotropic strain (using default)'''
infile = self.get_input('gaas.gen')
reffile = self.get_input('gaas.isostrain.gen')
outfile = self.get_output('gaas.isostrain.gen')
cmdargs = ['-o', outfile, infile, '10']
straingen.main(cmdargs)
self.assertTrue(common.gen_file_equals(outfile, reffile))
def test_clusterStrainXZ(self):
'''Cluster with xz strain'''
infile = self.get_input('h2o.gen')
reffile = self.get_input('h2o.xz.gen')
outfile = self.get_output('h2o.xz.gen')
cmdargs = ['-o', outfile, '-c', 'xz', infile, '10']
straingen.main(cmdargs)
self.assertTrue(common.gen_file_equals(outfile, reffile))
def test_clusterStrainNegOpt(self):
'''Cluster with negative isotropic strain (using explicit component)'''
infile = self.get_input('h2o.gen')
reffile = self.get_input('h2o.negisostrain.gen')
outfile = self.get_output('h2o.negisostrain.gen')
cmdargs = ['-o', outfile, '-c', 'I', '--', infile, '-10']
straingen.main(cmdargs)
self.assertTrue(common.gen_file_equals(outfile, reffile))
def test_fail_invalid_infile(self):
'''Failing due to invalid input file.'''
tempname = common.get_temporary_filename(self.workroot)
nonexisting_infile = os.path.join(self.workdir, tempname)
outfile = self.get_output('h2o.noinfile.gen')
cmdargs = ['-o', outfile, nonexisting_infile, '10']
with self.assertRaises(ScriptError):
straingen.main(cmdargs)
def test_stdout(self):
'''When output goes to stdout instead of file.'''
infile = self.get_input('h2o.gen')
reffile = self.get_input('h2o.isostrain.gen')
outfile = self.get_output('h2o.isostrain.gen')
cmdargs = [infile, '10']
with common.OutputCatcher() as output:
straingen.main(cmdargs)
outfile = output.get_as_stringio()
self.assertTrue(common.gen_file_equals(outfile, reffile))