atomate.utils.tests package

Submodules

atomate.utils.tests.test_loaders module

class atomate.utils.tests.test_loaders.FuncTest(methodName='runTest')

Bases: pymatgen.util.testing.PymatgenTest

setUp()

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

test_get_wf_from_spec_dict()
test_multi_parent()

atomate.utils.tests.test_utils module

class atomate.utils.tests.test_utils.Task1(*args, **kwargs)

Bases: fireworks.core.firework.FiretaskBase

run_task(fw_spec)

This method gets called when the Firetask is run. It can take in a Firework spec, perform some task using that data, and then return an output in the form of a FWAction.

Args:
fw_spec (dict): A Firework spec. This comes from the master spec.
In addition, this spec contains a special “_fw_env” key that contains the env settings of the FWorker calling this method. This provides for abstracting out certain commands or settings. For example, “foo” may be named “foo1” in resource 1 and “foo2” in resource 2. The FWorker env can specify { “foo”: “foo1”}, which maps an abstract variable “foo” to the relevant “foo1” or “foo2”. You can then write a task that uses fw_spec[“_fw_env”][“foo”] that will work across all these multiple resources.
Returns:
(FWAction)
class atomate.utils.tests.test_utils.Task2(*args, **kwargs)

Bases: fireworks.core.firework.FiretaskBase

run_task(fw_spec)

This method gets called when the Firetask is run. It can take in a Firework spec, perform some task using that data, and then return an output in the form of a FWAction.

Args:
fw_spec (dict): A Firework spec. This comes from the master spec.
In addition, this spec contains a special “_fw_env” key that contains the env settings of the FWorker calling this method. This provides for abstracting out certain commands or settings. For example, “foo” may be named “foo1” in resource 1 and “foo2” in resource 2. The FWorker env can specify { “foo”: “foo1”}, which maps an abstract variable “foo” to the relevant “foo1” or “foo2”. You can then write a task that uses fw_spec[“_fw_env”][“foo”] that will work across all these multiple resources.
Returns:
(FWAction)
class atomate.utils.tests.test_utils.UtilsTests(methodName='runTest')

Bases: atomate.utils.testing.AtomateTest

setUp(lpad=True)

Create scratch directory(removes the old one if there is one) and change to it. Also initialize launchpad.

test_env_chk()
test_get_database()
test_get_mongolike()
test_get_uri()
test_recursive_get_result()
test_recursiveupdate()

Module contents