espei.tests package

Submodules

espei.tests.fixtures module

Fixtures for use in tests

espei.tests.test_core_utils module

espei.tests.test_core_utils.test_get_data_for_a_minimal_example()

Given a dataset and the congfiguration pertaining to that dataset, we should find the values.

espei.tests.test_datasets module

espei.tests.test_datasets.test_check_datasets_raises_on_misaligned_data()

Passed datasets that have misaligned data and conditions should raise DatasetError.

espei.tests.test_datasets.test_check_datasets_raises_with_incorrect_components()

Passed datasets that have incorrect components entered vs. used should raise.

espei.tests.test_datasets.test_check_datasets_raises_with_incorrect_zpf_phases()

Passed datasets that have incorrect phases entered than used should raise.

espei.tests.test_datasets.test_check_datasets_raises_with_malformed_sublattice_configurations()

Passed datasets that have malformed ZPF values should raise.

espei.tests.test_datasets.test_check_datasets_raises_with_malformed_zpf()

Passed datasets that have malformed ZPF values should raise.

espei.tests.test_datasets.test_check_datasets_run_on_good_data()

Passed valid datasets that should raise DatasetError.

espei.tests.test_mcmc module

espei.tests.test_mcmc.test_lnprob_calculates_probability_for_success(datasets_db)

lnprob() successfully calculates the probability for equilibrium

espei.tests.test_mcmc.test_parameter_initialization()

Determinisitically generated parameters should match.

espei.tests.test_parameter_generation module

The test_parameter_generation module tests that parameter selection is correct

espei.tests.test_parameter_generation.test_mixing_energies_are_fit(datasets_db)

Tests that given mixing energy data, the excess parameter is fit.

espei.tests.test_parameter_generation.test_sgte_reference_state_naming_is_correct_for_character_element(datasets_db)

Elements with single character names should get the correct GHSER reference state name (V => GHSERVV)

espei.tests.test_schema module

Tests for input file validation

espei.tests.test_schema.test_SR2016_refdata()

espei.tests.test_schema.test_chains_per_parameter_read_correctly()

The chains per parameter option should take effect when passed.

espei.tests.test_schema.test_correct_defaults_are_applied_from_minimal_specification()

A minimal run should generate several default settings for i/o and optional settings.

espei.tests.test_schema.test_input_yaml_invalid_for_mcmc_when_input_is_overspecified()

An MCMC run must get input from only generate_parameters or an input tdb (w/ or w/o a restart).

espei.tests.test_schema.test_input_yaml_invalid_for_mcmc_when_input_not_defined()

An MCMC run must get input from generate_parameters, an input tdb, or a restart and input tdb.

espei.tests.test_schema.test_input_yaml_valid_for_full_run()

A minimal full run input file should validate

espei.tests.test_schema.test_input_yaml_valid_for_generate_parameters_only()

A minimal generate parameters only input file should validate

espei.tests.test_schema.test_input_yaml_valid_for_mcmc_from_restart()

A minimal mcmc run from a restart should validate

espei.tests.test_schema.test_input_yaml_valid_for_mcmc_from_tdb()

A minimal mcmc run from tdb input file should validate

espei.tests.test_utils module

Test espei.utils classes and functions.

espei.tests.test_utils.test_adding_bibtex_entries_to_bibliography_db(datasets_db)

Adding a BibTeX entries to a database works and the database can be searched.

espei.tests.test_utils.test_bib_marker_map()

bib_marker_map should return a proper dict

espei.tests.test_utils.test_flexible_open_string_file_like(tmp_file)

File-like objects support read methods should have their content returned by flexible_open_string.

espei.tests.test_utils.test_flexible_open_string_path_like(tmp_file)

Path-like strings should be opened, read and returned

espei.tests.test_utils.test_flexible_open_string_raw_string()

Raw multiline strings should be directly returned by flexible_open_string.

espei.tests.test_utils.test_immediate_client_returns_map_results_directly()

Calls ImmediateClient.map should return the results, instead of Futures.

espei.tests.test_utils.test_pickelable_tinydb_can_be_pickled_and_unpickled()

PickleableTinyDB should be able to be pickled and unpickled.

Module contents