maldipickr 1.3.0
Fixed
- Fix non-unique names possibility during spectra processing (#37)
Changed
- Deprecate ability to write RDS in
process_spectra()
(#38)
- Deprecate ability to read RDS in
merge_processed_spectra()
- Change warnings in
check_spectra()
to messages pointing to use remove_spectra()
Added
- Add
get_spectra_names()
to extract, format spectra names and warn against non-uniqueness
- Add
remove_spectra()
to better handle discarding raw or processed spectra
- Add
{lifecycle}
to better handle deprecation
- Add sections to the function reference list to improve clarity on website
maldipickr 1.2.0
Changed
- (BREAKING) Change homemade clustering to robust hierarchical clustering in
delineate_with_similarity()
(#32). The default method of hierarchical clustering is the complete linkage (also known as farthest neighbor clustering) to ensure that the within-group minimum similarity of each cluster respects the threshold
- Change
sapply()
calls to more type-robust vapply()
calls
Added
- (BREAKING) Set a minimum R version >= 3.2.0 (#31)
- Add hierarchical clustering linkage method as argument to
delineate_with_similarity()
- Add tolerance argument to
check_spectra()
to allow flexible spectra length checks
- Add more unit tests to key functions:
pick_spectra()
(#26) and merge_processed_spectra()
(#27)
Fixed
- Fix missing spectra names when merging spectra lists with peak-less spectra
- Fix coverage update issue by adding codecov token (#34)
maldipickr 1.1.1
Fixed
- Fix typos for CRAN re-submission: missing brackets in reference, and spelling errors.
maldipickr 1.1.0
Fixed
- (URGENT) Fix
delineate_with_similarity()
that did not include friends-of-friends in clusters after removal of {igraph}
in #18. Add a relevant similarity matrix to test it accordingly.
maldipickr 1.0.2
Changed
- Fix the invalid file
URIs
in NEWS.md
and README.md
maldipickr 1.0.1
Changed
- Fix title to title case for CRAN
maldipickr 1.0.0
Changed
- (BREAKING)
read_biotyper_report()
first column is now name
instead of spot
, meaning read_many_biotyper_reports()
renames all the name
columns to original_name
. This was to pick_spectra()
easily usable with taxonomy identification reports (38a614173fd21315a40e0823600a2082fa0935bb
)
- (BREAKING) All functions now follow the
verb_concept
nomenclature, meaning clustering functions are now renamed accordingly (#24):
- Change
similarity_to_clusters()
to delineate_with_similarity()
- Change
identification_to_clusters()
to delineate_with_identification()
- Refactor the
delineate_with_similarity()
clustering function (formerly: similarity_to_clusters()
) without using the {igraph}
nor {tidygraph}
R packages, for fewer dependencies and simpler codebase (#18)
- Update the
DESCRIPTION
to include the Strejcek reference (#22) and better highlight the package added-value
- Refactor the
pkgdown
website with a more accessible font and color schema inline with the logo color palette
- Change the vignettes titles and outline to better structure the documents
- Refactor cosine similarity computation example by highlighting the dedicated
coop::tcosine()
instead of the t() %>% coop::cosine()
Added
- Add long or wide output format for
read_biotyper_report()
(#12)
- Document how to quickstart with the
{maldipickr}
package for those in a hurry (#15)
- Document more precisely how to install tagged release of
{maldipickr}
package
- Add better tests for
merge_processed_spectra()
(b39c1313fd38239b4b1821a243c9debf467fd092
)
- Document authors list according to CRAN policy
- Add CRAN comments file to track submission notes
Removed
- Deprecate the
CHANGELOG.md
in favor of the R specific NEWS.md
(#20)
- Remove redundant check after symbolic links creation (#19)
Fixed
- Fix
summarise()
usage in pick_spectra()
, with code simplification (#11)
- Remove symbolic links created for importing acqu spectra files (#21)
- Fix CRAN warnings regarding
qpdf
(3b19dd36a6ec0f5dc277418c98977c526981b6e3
)
- Fix masked relevant
to_pick
column in the vignette (#17)
maldipickr 0.1.1
Added
Changed
- Improve the package description according to CRAN recommendations
maldipickr 0.1.0
maldipickr 0.0.0.9000
- Added a
NEWS.md
file to track changes to the package.