CHANGELOG.md

Changelog

All notable changes to this project will be documented in this file.

The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.

Unreleased

• diff since 0.3.1

Added

• ...

Changed

• ...

Fixed

• ...

Removed

• Moved spec2vec similarity related functionality from matchms to https://github.com/iomega/spec2vec

[0.3.1] - 2020-05-19

Added

• improve conda package matchms/matchms#225
  • Build scripts for Windows and Unix(MacOS and Linux) systems
  • verify conda package after uploading to anaconda repository by installing it
  • conda package also includes matchms/data folder

Changed

• conda package fixes #223
  • move conda receipe to conda folder
  • fix conda package installation issue
  • add extra import tests for conda package
  • add instructions to build conda package locally
  • automatically find matchms package in setup.py
  • update developer instructions
  • increase verbosity while packaging
  • skip builds for Python 2.X
  • more flexible package versions
  • add deployment requirements to meta.yml
• verify conda package matchms/matchms#225
  • use conda/environment.yml when building the package
• split anaconda workflow matchms/matchms#225
  • conda build: tests conda packages on every push and pull request
  • conda publish: publish and test conda package on release
  • update the developer instructions
  • move conda receipe to conda folder

0.3.0 - 2020-05-13

Added

• Spectrum, Scores class, save_to_mgf, load_from_mgf, normalize_intensities, calculate_scores #66 #67 #103 #108 #113 #115 #151 #152 #121 #154 #134 #159 #161 #198
• Spikes class #150 #167
• Anaconda package #70 #68 #181
• Sonarcloud #80 #79 #149 #169
• Normalization filter #83
• SpeciesString filter #181
• Select by relative intensity filter #98
• Select-by capability based on mz and intensity #87
• Default filters #97
• integration test #89 #147 #156 #194
• cosine greedy similarity function #112
• parent mass filter #116 #122 #158
• require_minimum_number_of_peaks filter #131 #155
• reduce_to_number_of_peaks filter #209
• inchi filters #145 #127 #181
• losses #160
• vesion string checks #185
• Spec2Vec #183 #165
• functions to verify inchies #181 #180
• documentation using radthedocs #196 #197
• build status badges #174
• vectorize spec2vec #206

Changed

• Seperate filters #97
• Translate filter steps to new structure (interpret charge and ionmode) #73
• filters returning a new spectrum #100
• Flowchart diagram #135
• numpy usage #191
• consistency of the import statements #189

Fixed

Removed

0.2.0 - 2020-04-03

Added

• Anaconda actions

0.1.0 - 2020-03-19

Added

• This is the initial version of Spec2Vec from https://github.com/iomega/Spec2Vec