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.
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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.
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__abstractmethods__
= frozenset({})¶
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__module__
= 'aiida_diff.calculations'¶
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_abc_impl
= <_abc_data object>¶
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aiida_diff.cli module¶
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.
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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
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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.
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__abstractmethods__
= frozenset({})¶
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__init__
(node)[source]¶ Initialize Parser instance
Checks that the ProcessNode being passed was produced by a DiffCalculation.
- Parameters
node (type) – ProcessNode of calculation
node –
aiida.orm.ProcessNode
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__module__
= 'aiida_diff.parsers'¶
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_abc_impl
= <_abc_data object>¶
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Module contents¶
aiida_diff
AiiDA demo plugin that wraps the diff executable for computing the difference between two files.