cheminfo / mass-tools

Various projects dealing with molecular formula

https://cheminfo.github.io/mass-tools/

MIT License

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chore: release 0.55.0 #7

Closed cheminfo-bot closed 3 years ago

cheminfo-bot commented 3 years ago

:robot: I have created a release beep boop

0.55.0 (2020-11-23)

Features

improve filterFct in generateMFs (b177219)
matcher: add filterFct (fd9fb68)
add furan phosphate (7887c9a)
add Lxx for isoleucine or leucine (1c43d85)
add mfDiff (f082f57)
add more groups (1e81ac4)
add types in groups.tsv (5941d60)
allow to specifiy isotopes in ranges (3a5552d)
deal with fromNucleicSequence of modified base (041b93f)
isotopicDistribution - add options to getTable (03a0da1)
replace furanThreeTerm by group Furp (b1efb06)
nucleotide: add ensureUppercaseSequence (23b60d1)
nucleotide: sequence to MF deals with other oneLetter code (0bfd369)
calculate sequence in fromPeptidic and fromNucleic (078e60e)
combine base loss and change nomenclature (8dedc39)
expose getPeaks and getBestPeaks (233678a)
limit number of generated MF (d361ed7)
throw in getGaussian if to big array (f80d76b)
working on non exaustive baseloss for nucleotide (0e8d2fa)

Bug Fixes

add spaces around salt bullet for display (43499ab)
add test-coverage (52e18b8)
bug on squenceSVG for modified peptides (95aebb8)
correcly use Xle and J for Lys / Ile (e1b2250)
do not calculate combined if estimate (b96535a)
fromNucleicSequence estimate bug (01ae485)
groups containing twice phosphate (2267e69)
limit database generation to 100000 (6e3eed3)
problem with spectrumGenerator and integer nbPoints (eed40df)
some groups description (36f8427)
nucleotide: problem with HO and H in sequence (8e16119)
svg color for similarity if merge (a043c15)
chemical-elements: leave unstable istopes (39a6f5b)

This PR was generated with Release Please.

codecov[bot] commented 3 years ago

Codecov Report

Merging #7 (cb2e3ed) into master (7094712) will not change coverage. The diff coverage is n/a.

@@           Coverage Diff           @@
##           master       #7   +/-   ##
=======================================
  Coverage   94.54%   94.54%           
=======================================
  Files         132      132           
  Lines        3335     3335           
  Branches      919      919           
=======================================
  Hits         3153     3153           
  Misses        167      167           
  Partials       15       15

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