test_linkjobparsers

class pyssian.tests.test_linkjobparsers.TestGeneralLinkJob(methodName='runTest')[source]

Bases: unittest.case.TestCase

classmethod setUpClass()[source]

Hook method for setting up class fixture before running tests in the class.

test_init()[source]
test_init_empty()[source]
test_regex()[source]
class pyssian.tests.test_linkjobparsers.TestLink1(methodName='runTest')[source]

Bases: unittest.case.TestCase

classmethod setUpClass()[source]

Hook method for setting up class fixture before running tests in the class.

test_commandline()[source]
test_guess_type()[source]
test_info()[source]
test_init()[source]
test_init_empty()[source]
test_regex_IOps()[source]
test_regex_commandline()[source]
test_regex_internaljob()[source]
test_regex_link0()[source]
class pyssian.tests.test_linkjobparsers.TestLink101(methodName='runTest')[source]

Bases: unittest.case.TestCase

classmethod setUpClass()[source]

Hook method for setting up class fixture before running tests in the class.

test_charge_spin()[source]
test_init()[source]
test_init_empty()[source]
test_regex_charge()[source]
test_regex_spin()[source]
class pyssian.tests.test_linkjobparsers.TestLink103(methodName='runTest')[source]

Bases: unittest.case.TestCase

classmethod setUpClass()[source]

Hook method for setting up class fixture before running tests in the class.

test_init()[source]
test_init_empty()[source]
test_locate_mode()[source]
test_locate_numbers()[source]
test_regex_convergence()[source]
test_regex_derivatives()[source]
test_regex_parameters()[source]
class pyssian.tests.test_linkjobparsers.TestLink123(methodName='runTest')[source]

Bases: unittest.case.TestCase

classmethod setUpClass()[source]

Hook method for setting up class fixture before running tests in the class.

test_init()[source]
test_init_empty()[source]
test_locate_irc_step()[source]
test_regex_orientation()[source]
class pyssian.tests.test_linkjobparsers.TestLink202(methodName='runTest')[source]

Bases: unittest.case.TestCase

classmethod setUpClass()[source]

Hook method for setting up class fixture before running tests in the class.

test_AtNum2Sym()[source]
test_AtNum2Sym_error()[source]
test_DistanceMatrix()[source]
test_init()[source]
test_init_empty()[source]
test_orientation()[source]
test_regex()[source]
class pyssian.tests.test_linkjobparsers.TestLink502(methodName='runTest')[source]

Bases: unittest.case.TestCase

classmethod setUpClass()[source]

Hook method for setting up class fixture before running tests in the class.

test_energy()[source]
test_init()[source]
test_init_empty()[source]
test_regex_energy()[source]
class pyssian.tests.test_linkjobparsers.TestLink601(methodName='runTest')[source]

Bases: unittest.case.TestCase

classmethod setUpClass()[source]

Hook method for setting up class fixture before running tests in the class.

test_init()[source]
test_init_empty()[source]
test_regex_MullikenAtoms()[source]
test_regex_MullikenHeavy()[source]
class pyssian.tests.test_linkjobparsers.TestLink716(methodName='runTest')[source]

Bases: unittest.case.TestCase

classmethod setUpClass()[source]

Hook method for setting up class fixture before running tests in the class.

test_init()[source]
test_init_empty()[source]
test_regex_EContrib()[source]
test_regex_Frequencies()[source]
test_regex_IRSpectrum()[source]
test_regex_Thermo()[source]
test_regex_dipole()[source]
class pyssian.tests.test_linkjobparsers.TestLink804(methodName='runTest')[source]

Bases: unittest.case.TestCase

classmethod setUpClass()[source]

Hook method for setting up class fixture before running tests in the class.

test_MP2()[source]
test_SCSCorr()[source]
test_SpinComponents()[source]
test_init()[source]
test_init_empty()[source]
test_regex_MP2()[source]
class pyssian.tests.test_linkjobparsers.TestLink913(methodName='runTest')[source]

Bases: unittest.case.TestCase

classmethod setUpClass()[source]

Hook method for setting up class fixture before running tests in the class.

test_CCSDT()[source]
test_MP4()[source]
test_init()[source]
test_init_empty()[source]
test_regex_MP4()[source]
test_regex_ccsdt()[source]
class pyssian.tests.test_linkjobparsers.TestLink914(methodName='runTest')[source]

Bases: unittest.case.TestCase

classmethod setUpClass()[source]

Hook method for setting up class fixture before running tests in the class.

test_extract_transitions()[source]
test_init()[source]
test_init_empty()[source]
test_locate_ExcitedStates()[source]
test_regex_ExcitedState()[source]
test_regex_transition()[source]