Closed thazhemadam closed 3 years ago
Merging #100 (9c581c1) into main (7c3ba5b) will increase coverage by
6.15%
. The diff coverage is95.32%
.
@@ Coverage Diff @@
## main #100 +/- ##
==========================================
+ Coverage 80.81% 86.97% +6.15%
==========================================
Files 12 17 +5
Lines 318 476 +158
==========================================
+ Hits 257 414 +157
- Misses 61 62 +1
Impacted Files | Coverage Δ | |
---|---|---|
src/atoms/atoms.jl | 100.00% <ø> (ø) |
|
src/data.jl | 0.00% <0.00%> (ø) |
|
src/featurizations/graphnodefeaturization.jl | 75.47% <0.00%> (ø) |
|
src/features/orbitalfeature.jl | 80.64% <80.64%> (ø) |
|
src/ChemistryFeaturization.jl | 100.00% <100.00%> (+33.33%) |
:arrow_up: |
src/atoms/atomgraph.jl | 76.19% <100.00%> (+1.99%) |
:arrow_up: |
src/codecs/onehotonecold.jl | 100.00% <100.00%> (ø) |
|
src/codecs/simplecodec.jl | 100.00% <100.00%> (ø) |
|
src/features/elementfeature.jl | 88.23% <100.00%> (+5.88%) |
:arrow_up: |
src/features/features.jl | 100.00% <100.00%> (+33.33%) |
:arrow_up: |
... and 10 more |
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Currently, this is a little lacking in documentation, but this PR is pretty behind already and I didn't want to unnecessarily introduce merge conflicts with #116.
Sounds good to me! Go ahead and merge in whatever order you want with #116 (I'll let you do it in case there's an order that will make it less messy haha)
Initial work up for introducing support for
OrbitalFeatureDescriptors
, that can encodeAtoms
into OFMs (orbital field matrices).Still a work in progress, so open to any and all ideas/criticisms.