Code

Multiple mutate fixes#565

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Merged

pckroon merged 25 commits intomarrink-lab:mastermarrink-lab/vermouth-martinize:masterfrom csbrasnett:mutate-fixcsbrasnett/vermouth-martinize:mutate-fixCopy head branch name to clipboardApr 23, 2024

+222-44

Commits

Commits on Dec 13, 2023

• fixed the system error

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  csbrasnett

  committed
  70c3b27

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Commits on Dec 14, 2023

• Fixed edge case and tests

  Show description for d4c886e
  csbrasnett

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Commits on Apr 5, 2024

• moved loop into its own function

  csbrasnett

  committed
  597f64a

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• found a new quote

  csbrasnett

  committed
  32b2ad9

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• minor formatting changes

  csbrasnett

  committed
  f07e228

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• made changes and fixed annotation test

  csbrasnett

  committed
  319ede6

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Commits on Apr 8, 2024

• Merge branch 'marrink-lab:master' into mutate-fix

  csbrasnett

  authored
  eab5a1f

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• Update codecov action

  pckroon

  committed
  84ba9f5

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• Don't fail deploy on minor issues

  pckroon

  committed
  bc7e724

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• added and clarified tests

  csbrasnett

  committed
  2c681be

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• Merge branch 'mutate-fix' of https://github.com/csbrasnett/vermouth-martinize into mutate-fix

  csbrasnett

  committed
  6988702

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• added resid tests

  csbrasnett

  committed
  2129a4d

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• added mut/mod examples to help

  csbrasnett

  committed
  da16846

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• fixed resid specification and added tests

  csbrasnett

  committed
  0a52393

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Commits on Apr 10, 2024

• Adapt mutmod warning test to run on System

  pckroon

  committed
  311704e

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Commits on Apr 11, 2024

• Merge branch 'marrink-lab:master' into mutate-fix

  csbrasnett

  authored
  6af9f66

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• updated mutmod annotating and appropriate tests

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  csbrasnett

  committed
  047b98b

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• added more conditions and corrected tests

  csbrasnett

  committed
  6680cbe

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• changed comments

  csbrasnett

  committed
  2933079

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• added more tests to increase coverage

  csbrasnett

  committed
  5fb2b3c

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• removed a degenerate condition

  csbrasnett

  committed
  c4c72f0

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Commits on Apr 16, 2024

• simplified annotation function

  csbrasnett

  committed
  3e1c5c1

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Commits on Apr 22, 2024

• addressed comments

  csbrasnett

  committed
  643b7e5

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Commits on Apr 23, 2024

• removed unnecessary conditions

  csbrasnett

  committed
  7224854

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• added info to docstring

  csbrasnett

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  431b322

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