Migration graph analysis #181
Open
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
- Added fields for StructureMatcher tolerances - Allowed the kwargs to be passed during construction
requires new pymatgen-diffusion PR
- moved structure group builder to it's own file - created base builder class GroupedThermoDocsBuilder that just grabs group docs and thermo docs - InsertionElectrodeBuilder is now a subclass
Codecov Report
@@ Coverage Diff @@
## main #181 +/- ##
==========================================
- Coverage 95.72% 95.56% -0.17%
==========================================
Files 23 24 +1
Lines 1592 1667 +75
==========================================
+ Hits 1524 1593 +69
- Misses 68 74 +6
Continue to review full report at Codecov.
|
utf
pushed a commit
to utf/emmet
that referenced
this pull request
May 8, 2021
…bot/pip/boto3-1.13.19
tschaume
force-pushed
the
main
branch
7 times, most recently
from
ec80e74
to
df5c2cd
Compare
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Outdated suggestions cannot be applied.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.
Changes to
StructureGroupDocMoved the structure group builder
Added definition of migration graph document in
migraiton.pyAdded migration builder
GroupedThermoDocsBuilderwhich acts as the base builder that just grabs documentsInsertionElectrodeBuilderalso grabs the working ion entry and builds the electrode docsMigrationGraphBuilderwill make the migration graphs