aiida_diff package#
Subpackages#
Submodules#
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: Any, **kwargs: Any)[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_impl = <_abc_data object>#
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 “aiida.cmdline.data” (both in the setup.json file).
aiida_diff.helpers module#
Helper functions for automatically setting up computer & code. Helper functions for setting up
An AiiDA localhost computer
A “diff” code on localhost
Note: Point 2 is made possible by the fact that the diff
executable is
available in the PATH on almost any UNIX system.
- aiida_diff.helpers.get_code(entry_point, computer)[source]#
Get local code. Sets up code for given entry point on given computer.
- Parameters
entry_point – Entry point of calculation plugin
computer – (local) AiiDA computer
- Returns
The code node
- Return type
- aiida_diff.helpers.get_computer(name='localhost-test', workdir=None)[source]#
Get AiiDA computer. Loads computer ‘name’ from the database, if exists. Sets up local computer ‘name’, if it isn’t found in the DB.
- Parameters
name – Name of computer to load or set up.
workdir – path to work directory Used only when creating a new computer.
- Returns
The computer node
- Return type
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({})#
- __init__(node)[source]#
Initialize Parser instance
Checks that the ProcessNode being passed was produced by a DiffCalculation.
- Parameters
node (type) – ProcessNode of calculation
- __module__ = 'aiida_diff.parsers'#
- _abc_impl = <_abc_data object>#
Module contents#
aiida_diff
AiiDA demo plugin that wraps the diff executable for computing the difference between two files.