aiida_skeaf.parsers package

Submodules

aiida_skeaf.parsers.skeaf module

Parsers provided by aiida_skeaf.

Register parsers via the “aiida.parsers” entry point in setup.json.

class aiida_skeaf.parsers.skeaf.SkeafParser(node)

Bases: Parser

Parser class for parsing output of calculation.

__abstractmethods__ = frozenset({})

__init__(node)

Initialize Parser instance

Checks that the ProcessNode being passed was produced by a SkeafCalculation.

Parameters:

• node (type) – ProcessNode of calculation

• node – aiida.orm.ProcessNode

__module__ = 'aiida_skeaf.parsers.skeaf'

_abc_impl = <_abc_data object>

parse(**kwargs)

Parse outputs, store results in database.

Returns:

an exit code, if parsing fails (or nothing if parsing succeeds)

aiida_skeaf.parsers.skeaf.parse_frequency(filecontent: List[str]) → ArrayData

Parse results_freqvsangle.out.

aiida_skeaf.parsers.skeaf.parse_short_out(filecontent: List[str]) → Dict

Parse results_short.out.

aiida_skeaf.parsers.wan2skeaf module

Parsers provided by aiida_skeaf.

Register parsers via the “aiida.parsers” entry point in setup.json.

exception aiida_skeaf.parsers.wan2skeaf.BXSFFileNotFoundError

Bases: Exception

Raised when BXSF file is not found.

__module__ = 'aiida_skeaf.parsers.wan2skeaf'

__weakref__

list of weak references to the object (if defined)

exception aiida_skeaf.parsers.wan2skeaf.JobNotFinishedError

Bases: Exception

Raised when wan2skeaf job is not finished and end timestamp is not in the output.

__module__ = 'aiida_skeaf.parsers.wan2skeaf'

__weakref__

list of weak references to the object (if defined)

class aiida_skeaf.parsers.wan2skeaf.Wan2skeafParser(node)

Bases: Parser

Parser class for parsing output of wan2skeaf.py.

__abstractmethods__ = frozenset({})

__init__(node)

Initialize Parser instance

Checks that the ProcessNode being passed was produced by a SkeafCalculation.

Parameters:

• node (type) – ProcessNode of calculation

• node – aiida.orm.ProcessNode

__module__ = 'aiida_skeaf.parsers.wan2skeaf'

_abc_impl = <_abc_data object>

attach_bxsf_files(band_indexes_in_bxsf)

Attach RemoteData for extracted bxsf.

parse(**kwargs)

Parse outputs, store results in database.

Returns:

an exit code, if parsing fails (or nothing if parsing succeeds)

aiida_skeaf.parsers.wan2skeaf.parse_wan2skeaf_out(filecontent: List[str]) → Dict

Parse wan2skeaf.out.

Module contents

Parsers for Calculations.