pygromos.tests.test_simulation_blocks package

Submodules

pygromos.tests.test_simulation_blocks.test_simulation_runner_blocks module

class pygromos.tests.test_simulation_blocks.test_simulation_runner_blocks.test_simulation_blocks(methodName='runTest')

Bases: unittest.case.TestCase

input_cnf_path = '/home/mlehner/PyGromosTools/pygromos/tests/in_testfiles/small_system/6J29.cnf'

input_top_path = '/home/mlehner/PyGromosTools/pygromos/tests/in_testfiles/small_system/6J29.top'

setUp() → None

Hook method for setting up the test fixture before exercising it.

sim_block(step_name: str = 'emin', override_project_dir: typing.Optional[str] = None, in_imd_path=None, submission_system: pygromos.simulations.hpc_queuing.submission_systems._submission_system._SubmissionSystem = <pygromos.simulations.hpc_queuing.submission_systems.local.LOCAL object>, simulation_runs: int = 1, equilibration_runs: int = 0, previous_simulation_run: typing.Optional[int] = None, _template_imd_path: str = '/home/mlehner/PyGromosTools/pygromos/data/simulation_parameters_templates/emin.imd', _no_double_submit_check: bool = False, initialize_first_run=False, analysis_script: callable = <function do>, verbose: bool = True) → Tuple[pygromos.files.gromos_system.gromos_system.Gromos_System, int]

submissionSystem = <pygromos.simulations.hpc_queuing.submission_systems.dummy.DUMMY object>

test_emin()

test_lam_window()

test_md()

test_sd()

test_smulation()

test_ti_sampling()

verbose = False

Module contents