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Bump ChemSharp.Spectroscopy from 1.0.4 to 2.0.0 - #57

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Bump ChemSharp.Spectroscopy from 1.0.4 to 2.0.0#57
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Bumps ChemSharp.Spectroscopy from 1.0.4 to 2.0.0.

Release notes

Sourced from ChemSharp.Spectroscopy's releases.

2.0.0

What's Changed

Breaking Changes:

  • Added the new Formats for Structural Files!
  • DataProviders removed
  • Use Molecule.FromX instead of MoleculeFactory
  • Use Spectrum.FromFile instead of SpectrumFactory

Changes

  • Molecules are UndirectedGraphs now!
  • new Format: mmCIF
  • new Format: PDB Ligand CIF
  • Performance Improvements (up to 10x faster)
  • More Codegenerators
  • Use XUnit for tests

Full Changelog: JensKrumsieck/ChemSharp@v1.0.15...v2.0.0

2.0.0 beta 1

What's Changed

Full Changelog: JensKrumsieck/ChemSharp@v1.0.15...v2.0.0-beta.1

2.0.0 Alpha 3

Full Changelog: JensKrumsieck/ChemSharp@v2.0.0-alpha.2...v2.0.0-alpha.3

v2.0.0-alpha.2

Full Changelog: JensKrumsieck/ChemSharp@v2.0.0-alpha.1...v2.0.0-alpha.2

2.0.0 Alpha 1

Decided to go with 2.0.x instead of 1.1.x

1.1.0 Beta 1

THIS IS A NON-STABLE PRE-RELEASE! Use 1.0.x in production!

Breaking Changes:

  • Added the new Formats for Structural Files!
  • DataProviders are obsolete for Structural Files!
  • Use Molecule.FromX instead of MoleculeFactory

Changes

  • Molecules are UndirectedGraphs now!

... (truncated)

Commits

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Bumps [ChemSharp.Spectroscopy](https://github.com/JensKrumsieck/ChemSharp) from 1.0.4 to 2.0.0.
- [Release notes](https://github.com/JensKrumsieck/ChemSharp/releases)
- [Commits](JensKrumsieck/ChemSharp@v1.0.4...v2.0.0)

---
updated-dependencies:
- dependency-name: ChemSharp.Spectroscopy
  dependency-type: direct:production
  update-type: version-update:semver-major
...

Signed-off-by: dependabot[bot] <support@github.com>
@dependabot dependabot Bot added the dependencies Pull requests that update a dependency file label Mar 1, 2023
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