Skip to content

Commit 7ebaa8d

Browse files
committed
Ensure that get.exhaustive.fragments is exported. @inherit apparently does not inherit @export's
1 parent 5f4853f commit 7ebaa8d

File tree

4 files changed

+8
-3
lines changed

4 files changed

+8
-3
lines changed

rcdk/DESCRIPTION

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -1,6 +1,6 @@
11
Package: rcdk
2-
Version: 3.5.3.1
3-
Date: 2020-12-24
2+
Version: 3.5.3.2
3+
Date: 2021-03-21
44
Title: Interface to the 'CDK' Libraries
55
Authors@R: c(person('Rajarshi', 'Guha', role=c('aut',"cph"), email='rajarshi.guha@gmail.com'),
66
person('Zachary', 'Charlop-Powers', role=c('cre'), email='zach.charlop.powers@gmail.com'),

rcdk/NAMESPACE

Lines changed: 2 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -31,6 +31,7 @@ export(get.desc.categories)
3131
export(get.desc.names)
3232
export(get.element.types)
3333
export(get.exact.mass)
34+
export(get.exhaustive.fragments)
3435
export(get.fingerprint)
3536
export(get.formal.charge)
3637
export(get.formula)
@@ -76,6 +77,7 @@ export(set.title)
7677
export(smiles.flavors)
7778
export(view.image.2d)
7879
export(view.molecule.2d)
80+
export(view.table)
7981
export(write.molecules)
8082
import(fingerprint)
8183
import(iterators)

rcdk/R/frags.R

Lines changed: 3 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -53,6 +53,9 @@ get.murcko.fragments <- function(mols, min.frag.size = 6, as.smiles = TRUE, sing
5353
}
5454

5555
#' @inherit get.murcko.fragments
56+
#' @author Rajarshi Guha (\email{rajarshi.guha@@gmail.com})
57+
#' @seealso [get.murcko.fragments()]
58+
#' @export
5659
#' @return returns a list of length equal to the number of input molecules. Each
5760
#' element is a character vector of SMILES strings or a list of `jobjRef` objects.
5861
get.exhaustive.fragments <- function(mols, min.frag.size = 6, as.smiles = TRUE) {

rcdk/man/get.exhaustive.fragments.Rd

Lines changed: 1 addition & 1 deletion
Some generated files are not rendered by default. Learn more about customizing how changed files appear on GitHub.

0 commit comments

Comments
 (0)