atomate.common.firetasks.tests package

Submodules

atomate.common.firetasks.tests.test_glue_tasks module

atomate.common.firetasks.tests.test_parse_outputs module

class atomate.common.firetasks.tests.test_parse_outputs.TestDrone

Bases: pymatgen.apps.borg.hive.AbstractDrone

__init__()

Initialize self. See help(type(self)) for accurate signature.

assimilate(path)

Assimilate data in a directory path into a pymatgen object. Because of the quirky nature of Python”s multiprocessing, the object must support pymatgen’s as_dict() for parallel processing.

Args:
path: directory path
Returns:
An assimilated object
get_valid_paths(path)

Checks if path contains valid data for assimilation, and then returns the valid paths. The paths returned can be a list of directory or file paths, depending on what kind of data you are assimilating. For example, if you are assimilating VASP runs, you are only interested in directories containing vasprun.xml files. On the other hand, if you are interested converting all POSCARs in a directory tree to cifs for example, you will want the file paths.

Args:
path: input path as a tuple generated from os.walk, i.e.,
(parent, subdirs, files).
Returns:
List of valid dir/file paths for assimilation
class atomate.common.firetasks.tests.test_parse_outputs.TestToDbTask(methodName='runTest')

Bases: atomate.utils.testing.AtomateTest

test_ToDbTask()

Module contents