aiida_diff package


aiida_diff.calculations module

Calculations provided by aiida_diff.

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

class aiida_diff.calculations.DiffCalculation(*args, **kwargs)[source]

Bases: aiida.engine.processes.calcjobs.calcjob.CalcJob

AiiDA calculation plugin wrapping the diff executable.

Simple AiiDA plugin wrapper for ‘diffing’ two files.

__abstractmethods__ = frozenset([])
__module__ = 'aiida_diff.calculations'
_abc_cache = <_weakrefset.WeakSet object>
_abc_negative_cache = <_weakrefset.WeakSet object>
_abc_negative_cache_version = 36
_abc_registry = <_weakrefset.WeakSet object>
classmethod define(spec)[source]

Define inputs and outputs of the calculation.


Create input files.

Parameters:folder – an aiida.common.folders.Folder where the plugin should temporarily place all files needed by the calculation.
Returns:aiida.common.datastructures.CalcInfo instance

aiida_diff.cli module

Command line interface (cli) for aiida_diff.

Register new commands either via the “console_scripts” entry point or plug them directly into the ‘verdi’ command by using AiiDA-specific entry points like “” (both in the setup.json file).

aiida_diff.parsers module

Parsers provided by aiida_diff.

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

class aiida_diff.parsers.DiffParser(node)[source]

Bases: aiida.parsers.parser.Parser

Parser class for parsing output of calculation.

__abstractmethods__ = frozenset([])

Initialize Parser instance

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

__module__ = 'aiida_diff.parsers'
_abc_cache = <_weakrefset.WeakSet object>
_abc_negative_cache = <_weakrefset.WeakSet object>
_abc_negative_cache_version = 36
_abc_registry = <_weakrefset.WeakSet object>

Parse outputs, store results in database.

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

Module contents


AiiDA demo plugin that wraps the diff executable for computing the difference between two files.