cheminfo / common-spectrum

https://cheminfo.github.io/common-spectrum/.

MIT License

3 stars 2 forks source link

feat: optimize manually picked peaks #67

Closed kjappelbaum closed 3 years ago

kjappelbaum commented 3 years ago

addresses #63

codecov[bot] commented 3 years ago

Codecov Report

Merging #67 (8e82cee) into master (f4c3ecf) will increase coverage by 0.24%. The diff coverage is 100.00%.

@@            Coverage Diff             @@
##           master      #67      +/-   ##
==========================================
+ Coverage   85.59%   85.83%   +0.24%     
==========================================
  Files          21       21              
  Lines         576      586      +10     
  Branches      187      188       +1     
==========================================
+ Hits          493      503      +10     
  Misses         82       82              
  Partials        1        1

Impacted Files	Coverage Δ
src/util/peakPicking.ts	`100.00% <100.00%> (ø)`

Continue to review full report at Codecov.

Legend - Click here to learn more Δ = absolute <relative> (impact), ø = not affected, ? = missing data Powered by Codecov. Last update f4c3ecf...8e82cee. Read the comment docs.

lpatiny commented 3 years ago

Should we add those properties xOptimized, yOptimized (and other variables ???). It also has impact on autoPeakPicking. I think it could make sense to use those optimized values.

kjappelbaum commented 3 years ago

@lpatiny thinking about this, the most compatible change seems to be use the behavior we have atm in the PR given that the old default was to return "optimized" values when the optimized flag was used and to return non-optimized ones by default

codecov-commenter commented 3 years ago

Codecov Report

Merging #67 (e731d9c) into master (f4c3ecf) will increase coverage by 0.31%. The diff coverage is 100.00%.

@@            Coverage Diff             @@
##           master      #67      +/-   ##
==========================================
+ Coverage   85.59%   85.90%   +0.31%     
==========================================
  Files          21       21              
  Lines         576      589      +13     
  Branches      187      201      +14     
==========================================
+ Hits          493      506      +13     
+ Misses         82       81       -1     
- Partials        1        2       +1

Impacted Files	Coverage Δ
src/util/peakPicking.ts	`100.00% <100.00%> (ø)`
src/jsgraph/getNormalizationAnnotations.ts	`7.14% <0.00%> (ø)`

Continue to review full report at Codecov.

Legend - Click here to learn more Δ = absolute <relative> (impact), ø = not affected, ? = missing data Powered by Codecov. Last update f4c3ecf...e731d9c. Read the comment docs.