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.
- re-enabled parallelism in alignment step #230
- fixed not working eic splitting code #226
- Moved import order in the hope it will fix the import bugs by @hechth in #224
- added tests for mzdata and mzxml formats #216
- feature.alignment function refactored by @KristinaGomoryova in #221
- remove_noise function updated by @KristinaGomoryova in #219
- Updated correct time to use precomputed clusters by @zargham-ahmad in #220
- Fix tests by @hechth in #222
- removed outdated files by @hechth in #223
- sample names in aligned tables no longer use _intensity and _rt suffixes #212
- corner case in peak picking when an EIC was between 2 and 10 features #212
- implemented new clustering algorithm and included parallelism in unsupervised and hybrid #201
- refactored adaptive.bin and combine.seq.3 #196
- refactored find.match #193
- Simplified Evaluation Conditions For Test Cases #197
- Renamed
proc.cdf
toremove_noise
#190 - Fixed dimension bug
adaptive.bin
#200
- introduced parallelism in feature.align #182
- fixed bug in recover.weaker related to sample name matching #180
- refactored
rm.ridge.R
#171 - refactored and documented
prof.to.features.R
#170 - added full testdata case for
unsupervised.R
andhybrid.R
#177 - added function to sort data in
compute_clusters.R
to return sorted data #177
- updated remote files with the full data get links #177
- fixed parameter value of recover.weaker in
unsupervised.R
andhybrid.R
#177 - reinstated returning tolerances from clusters and passed them in
unsupervised.R
andhybrid.R
#178
- removed NA check in
concatenate_feature_tables
#177
- added documentation from Rd files to code #78
- added tests with realistic testdata for
extract_features.R
#42, #54 - added tests for
feature.align.R
(#40), andadjust.time.R
(#39) - added CI to repository's GitHub Actions #45,#49
- added additional test cases for hybrid #133
- added tests and testdata for run_filter.R #156
merge_features_and_known_table
wrapper for augmentation of aligned features and known table #154
- refactored
feature.align.R
#63#88#102 - refactored
adjust.time.R
#64#102 - refactored
find.tol.time.R
#91 - refactored
find.turn.point.R
#91 - refactored
proc.cdf.R
andadaptive.bin.R
#137 - refactored
cont.index.R
and renamed asrun_filter.R
#156 - use proper sample IDs inside feature tables #153
- exported functions in NAMESPACE #154
- docstrings and documentation files for refactored functions #160
- refactored parameter names to keep them more harmonized #167
- moved some utility functions to a more suitable locations #164
extract_features
andfeature.align
#154- improper usage of
@examples
#160 - several obsolete utility functions #164
- several outdated
.Rd
files #168 - default argument values from low-level functions #168
- added complete tests for unsupervised and hybrid versions #19
- added conda environments #20
- added Docker development environment #31
- added VSCode devcontainer configuration #31