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Migration graph analysis
Changes to StructureGroupDoc
- Moved code to separate file
- Added fields for StructureMatcher tolerances
- Allowed the kwargs to be passed during construction
Moved the structure group builder
- Moved the working ion and redox ion definition into settings
Added definition of migration graph document in migraiton.py
Added migration builder
- have a general
GroupedThermoDocsBuilder
which acts as the base builder that just grabs documents - Then insertion
InsertionElectrodeBuilder
also grabs the working ion entry and builds the electrode docs - Finally
MigrationGraphBuilder
will make the migration graphs
Codecov Report
Merging #181 (65cc9f3) into main (56f38b3) will decrease coverage by
0.16%
. The diff coverage is92.10%
.
@@ 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
Impacted Files | Coverage Δ | |
---|---|---|
emmet-core/emmet/core/migration.py | 91.42% <91.42%> (ø) |
|
emmet-core/emmet/core/structure_group.py | 95.53% <100.00%> (+0.20%) |
:arrow_up: |
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