R_Calloc
and R_Free
instead of Calloc
and Free
in
src/lowerConvexHull.c
, respectively, to reflect changes in the R API and
fullfil STRICT_R_HEADERS check.common_path()
to not return also the file name if the input parameter
contains only identical character strings.common_path()
function.force_sorted()
to adjust a numeric vector to ensure
increasing/sorted values.ndotproduct
.breaks_ppm
to create a sequence of numbers with increasing
difference between elements (defined by parameter ppm
).impute_mle2()
since norm2 has been removed from CRAN (see
issue
117).entropy
and nentropy
.impute_MinDet(MARGIN = 1)
and add unit test.stopifnot()
when calling requireNamespace()
.maxi
to determine the maximal intensity value. This function
returns NA_real_
instead of -Inf
if all values are missing or if the
length of the input parameter is 0.sumi
to sum intensity values with correct NA handling.between
in C (see issue #105).impute_mle2()
in the
MLE imputation paragraph.MARGIN
argument to (relevant) imputation functions to
support (and make it explicit) along which dimensions (row or
columns) imputation is performed.impute_mle2()
function that uses norm2
(see issue #100).rla
/rowRla
man page.missForest
) is now available
(`method = "RF")bin
gains parameter returnMids
to choose whether or not bin
mid-points should be returned in the result list
.ppm
to always return a positive value (issue
#94).Matrix::colSums()
by default to handle sparce 'Matrix' and
'matrix' adjacency matrices.aggregate_by_matrix()
that uses an adjacency matrix to
aggregate quantitative features.aggregate_by_matrix()
and
aggregate_by_vector()
to make sure that these are always set and
not reply on the underlying function.which.first
and which.last
.join_gnps
and gnps
to allow calculation of GNPS spectra similarity
scores.rt2numeric()
, rt2character()
and formatRt()
.impute_fun()
function for user-provide imputation function.c("left", "right", "inner", "outer")
join
in C <2020-10-06 Tue>....
to functions to join and compare peaks; see also
#131.Feature
to QFeatures
<2020-07-14 Tue>closest
accept just argument tolerance
of length 1 or length(x)
;
see also #61,
PR #62
<2020-08-07 Thu>.tolerance
argument in closest
should now be of length 1 or of
length(x)
(was length(table)
before) <2020-08-20 Thu>.table
closest
and common
return a vector of length x
with NA
or FALSE
, respectively (instead of 1
and TRUE
).
Fixes #55
<2020-06-18 Thu>.closest
and common
ignore NA
in table
<2020-06-19 Fri>.rbindFill
for single data.frame
or DataFrame
as input <2020-06-23 Tue>.colCounts()
aggregation function <2020-05-27 Wed>.Add some popular distance/similarity metrices:
ndotproduct
neuclidean
navdist
nspectraangle
; see also
PR #33.
Add deprecation note to dotproduct
<2020-05-22 Fri>.
MsCoreUtils
with core function to get extreme
values, grouping/matching, noise/smoothing, similarity measurements,
various helper function, and function to process (impute and
normalise) quantitative features.