Code

Refactoring data reading and writing#116

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Merged

hechth merged 24 commits intomainRECETOX/RIAssigner:mainfrom refactoringRECETOX/RIAssigner:refactoringCopy head branch name to clipboardFeb 5, 2024

+590-939,196

Commits

Commits on Jan 30, 2024

• updated dependencies

  hechth

  committed
  e35444c

• moved spectra reading and writing for all formats to amtchms package

  hechth

  committed
  344cdbb

• updated tests

  hechth

  committed
  91bc106

• truncated libraries with testdata

  hechth

  committed
  50bbf51

• test cleaning

  hechth

  committed
  b949c26

• removed exception of RI is not present

  hechth

  committed
  899c321

• updated workflow

  hechth

  committed
  711793c

• changed rt and ri types to be none optional

  hechth

  committed
  1efeaca

• changed matchms data rt and ri reading to return 0 if no values is present

  hechth

  committed
  0688cef

• updated tests and introduced NA filling with 0s for pandas data

  hechth

  committed
  66e82bf

• fixed tests for reading RTs

  hechth

  committed
  65e50f9

• fixed test cases

  hechth

  committed
  b1a1399

• update actions

  hechth

  committed
  0892474

• increased version

  hechth

  committed
  2c3f9c1

• added parquet support

  hechth

  committed
  3fd7885

• expanded data checking

  hechth

  committed
  01b72e3

• added condition that rts and ris cant be empty to be valid

  hechth

  committed
  5084fa1

• removed validation in simple data

  hechth

  committed
  d0a1ec3

• added more validation to validating data

  hechth

  committed
  19a7209

• updated tests

  hechth

  committed
  1ef775a

• added lockfile from poetry to gitignore

  hechth

  committed
  0c53c2d

• added last compute exception test case

  hechth

  committed
  721531b

Commits on Feb 5, 2024

• refactored out function

  hechth

  committed
  b8bb557

• Update RIAssigner/data/MatchMSData.py

  Show description for fe40202
  

  hechth

  and

  wverastegui

  authored
  fe40202