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Add an `AnalysisCollection` class
Fixes #3569
The AnalysisCollection
follows the discussion of #3569 resetting the timestep object for each analysis by default. If requested the user can set the reset_timestep
variable to False
allowing altering the timestep object.
Within this PR I moved the run method from AnalysisBase
to AnalysisCollection
to avoid code a lot of duplication. These changes interface of Github might make this a bit difficult to follow. The core changes the run
method only that instead of running the _prepare
, _single_frame
and _conclude
methods only once it is looped over all provided analysis instances.
Changes made in this Pull Request:
- Add an
AnalysisCollection
class to perform multiple analyses on the same trajectory - Use
assert_equal
intest_base.py
PR Checklist
- [x] Tests?
- [x] Docs?
- [x] CHANGELOG updated?
- [x] Issue raised/referenced?
Disclaimer: This PR was written with inspiration of OpenAI's ChatGPT.