chore(main): release 7.0.0

cheminfo-bot commented 1 year ago

:robot: I have created a release beep boop

7.0.0 (2023-05-24)

⚠ BREAKING CHANGES

move searchGNPS to OctoChemDB
remove searchPubchem, searchActivesOrNaturals, searchAndGroupActivesOrNaturals

Features

mf-parser: possibility to customize getInfo fieldNames for em (d4e422e)
move searchGNPS to OctoChemDB (abff44a)
octochemdb: add activeOrNaturalDetails (610f7b1)
octochemdb: add activeOrNaturalSummarize (ca852b7)
octochemdb: add activesOrNaturals and activesOrNaturalsByMF (9a31172)
octochemdb: add package and mfsFromEM (6d97f90)
octochemdb: allow to retrieve thousands of patents in activesOrNaturalsDetailllllllls (c8425c5)
use octochemdb.cheminfo.org and refactor searchActivesOrNaturals (d216a82)

Bug Fixes

mass-tools: expose getBestPeaks that was removed in a previous commit (d585116)
mf-finder: minCharge and maxCharge was incorrectly managed by TargetMassCache (dd53e2e)

Miscellaneous Chores

remove searchPubchem, searchActivesOrNaturals, searchAndGroupActivesOrNaturals (bac4a83)

This PR was generated with Release Please. See documentation.

codecov[bot] commented 1 year ago

Codecov Report

Patch coverage has no change and project coverage change: +0.90 :tada:

Comparison is base (8aef87f) 69.36% compared to head (5be0e3d) 70.27%.

:exclamation: Current head 5be0e3d differs from pull request most recent head 97c5c91. Consider uploading reports for the commit 97c5c91 to get more accurate results

Additional details and impacted files

```diff @@ Coverage Diff @@ ## main #113 +/- ## ========================================== + Coverage 69.36% 70.27% +0.90% ========================================== Files 171 160 -11 Lines 9206 8811 -395 Branches 2909 2774 -135 ========================================== - Hits 6386 6192 -194 + Misses 2792 2591 -201 Partials 28 28 ``` [see 30 files with indirect coverage changes](https://app.codecov.io/gh/cheminfo/mass-tools/pull/113/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=cheminfo)

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cheminfo-bot commented 1 year ago

:robot: Release is at https://github.com/cheminfo/mass-tools/releases/tag/v7.0.0 :sunflower:

cheminfo / mass-tools