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add DummyFeaturization #87

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add DummyFeaturization #87

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Resolves #85 .

Signed-off-by: Rachel Kurchin <rkurchin@cmu.edu>
…ved `decode(::AtomGraph)` from graphnodefeaturization to atomgraph, also added some generic methods and imports/exports.

Signed-off-by: Rachel Kurchin <rkurchin@cmu.edu>
…exports so existing tests pass

Signed-off-by: Rachel Kurchin <rkurchin@cmu.edu>
Signed-off-by: Rachel Kurchin <rkurchin@cmu.edu>
…ormatting

Signed-off-by: Rachel Kurchin <rkurchin@cmu.edu>
…d validate_features

Signed-off-by: Rachel Kurchin <rkurchin@cmu.edu>
Signed-off-by: Rachel Kurchin <rkurchin@cmu.edu>
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codecov-commenter commented Jun 23, 2021

Codecov Report

Merging #87 (4581d1c) into main (c5bde65) will increase coverage by 1.41%.
The diff coverage is 76.47%.

Impacted file tree graph

@@            Coverage Diff             @@
##             main      #87      +/-   ##
==========================================
+ Coverage   81.08%   82.50%   +1.41%     
==========================================
  Files          11       13       +2     
  Lines         312      320       +8     
==========================================
+ Hits          253      264      +11     
+ Misses         59       56       -3     
Impacted Files Coverage Δ
src/ChemistryFeaturization.jl 100.00% <ø> (+100.00%) ⬆️
src/atoms/atoms.jl 0.00% <0.00%> (ø)
src/features/elementfeature.jl 81.81% <ø> (-0.54%) ⬇️
src/features/speciesfeature.jl 0.00% <ø> (ø)
src/featurizations/graphnodefeaturization.jl 90.90% <ø> (-1.10%) ⬇️
src/features/features.jl 75.00% <50.00%> (+75.00%) ⬆️
src/featurizations/featurizations.jl 75.00% <66.66%> (+75.00%) ⬆️
src/atoms/atomgraph.jl 65.06% <85.71%> (+2.72%) ⬆️
src/featurizations/dummyfeaturization.jl 100.00% <100.00%> (ø)
... and 1 more

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src/features/features.jl Outdated Show resolved Hide resolved
src/featurizations/featurizations.jl Outdated Show resolved Hide resolved
src/featurizations/featurizations.jl Outdated Show resolved Hide resolved
@test_throws ArgumentError decode(df, dummy_encoded)
F2 = AtomGraph(Float32.([0 1; 1 0]), ["F", "F"])
@test_throws ArgumentError featurize!(F2, df)
end
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[JuliaFormatter] reported by reviewdog 🐶

Suggested change
end
end

test/module_tests.jl Outdated Show resolved Hide resolved
test/runtests.jl Outdated Show resolved Hide resolved
Signed-off-by: Rachel Kurchin <rkurchin@cmu.edu>
Signed-off-by: Rachel Kurchin <rkurchin@cmu.edu>
Signed-off-by: Rachel Kurchin <rkurchin@cmu.edu>
@rkurchin rkurchin mentioned this pull request Jun 28, 2021
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This approach is being abandoned, at least for now, and the docstring commits have been grabbed over in #90, so I'm going to close this.

@rkurchin rkurchin closed this Jun 28, 2021
@rkurchin rkurchin deleted the dummyfzn branch March 7, 2022 23:13
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make DummyFeaturization
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