Index basis vector strategy refactor #895
Merged
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Anthchirp
reviewed
Aug 23, 2019
New find_unique_vectors() function refactored from RealSpaceGridSearch class.
- New self.search_directions property to return search directions - generator. - compute_functional to static method.
This combines the search_directions with the unit cell lengths to return a generator of search_vectors.
- Rename strategies.py to strategy.py since it now only defines the Strategy metaclass. - Export strategy classes in top-level basis_vector_search/__init__.py to simplify imports.
rjgildea
force-pushed
the
index-strategy-refactor
branch
from
c06195a
to
aeef5ae
Compare
|
@rjgildea looks good to me, my tests passed. Thanks for this! |
rjgildea
added a commit
that referenced
this pull request
Sep 10, 2019
General refactoring of basis_vector_search subpackage: - Refactor basis vector search strategies to individual modules - Rename strategies.py -> strategy.py - Export strategies in top level basis_vector_search/__init__.py to simplify imports - Move utility functions to utils.py module - Extract `group_vectors()` to standalone function in utils.py - Remove "_strategy" suffix from entry point names Refactoring of `RealSpaceGridSearch.find_basis_vectors()` function - Use `group_vectors()` in RealSpaceGridSearch - New `compute_functional() static method - New `search_directions` and `search_vectors` properties which return an iterator of search directions/vectors respectively - New score_vectors() method - `max_vectors` param instead of hardcoded value
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
General refactoring of basis_vector_search subpackage:
group_vectors()to standalone function in utils.pyRefactoring of
RealSpaceGridSearch.find_basis_vectors()functiongroup_vectors()in RealSpaceGridSearchsearch_directionsandsearch_vectorsproperties which return an iterator of search directions/vectors respectivelymax_vectorsparam instead of hardcoded value