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Merge pull request #314 from stitam/newrelease
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stitam committed Feb 7, 2021
2 parents 9e1694b + ffd65b2 commit ee2d0d8
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2 changes: 1 addition & 1 deletion R/alanwood.R
Expand Up @@ -18,7 +18,7 @@
#' @references Eduard Szöcs, Tamás Stirling, Eric R. Scott, Andreas Scharmüller,
#' Ralf B. Schäfer (2020). webchem: An R Package to Retrieve Chemical
#' Information from the Web. Journal of Statistical Software, 93(13).
#' <doi:10.18637/jss.v093.i13>.
#' \doi{10.18637/jss.v093.i13}.
#' @export
#' @examples
#' \dontrun{
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4 changes: 2 additions & 2 deletions R/chebi.R
Expand Up @@ -52,7 +52,7 @@
#' @references Eduard Szöcs, Tamás Stirling, Eric R. Scott, Andreas Scharmüller,
#' Ralf B. Schäfer (2020). webchem: An R Package to Retrieve Chemical
#' Information from the Web. Journal of Statistical Software, 93(13).
#' <doi:10.18637/jss.v093.i13>.
#' \doi{10.18637/jss.v093.i13}.
#' @export
#' @examples
#' \donttest{
Expand Down Expand Up @@ -225,7 +225,7 @@ get_chebiid <- function(query,
#' @references Eduard Szöcs, Tamás Stirling, Eric R. Scott, Andreas Scharmüller,
#' Ralf B. Schäfer (2020). webchem: An R Package to Retrieve Chemical
#' Information from the Web. Journal of Statistical Software, 93(13).
#' <doi:10.18637/jss.v093.i13>.
#' \doi{10.18637/jss.v093.i13}.
#' @export
#' @examples
#' \donttest{
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4 changes: 2 additions & 2 deletions R/chemspider.R
Expand Up @@ -164,7 +164,7 @@ cs_control <- function(datasources = vector(),
#' @references Eduard Szöcs, Tamás Stirling, Eric R. Scott, Andreas Scharmüller,
#' Ralf B. Schäfer (2020). webchem: An R Package to Retrieve Chemical
#' Information from the Web. Journal of Statistical Software, 93(13).
#' <doi:10.18637/jss.v093.i13>.
#' \doi{10.18637/jss.v093.i13}.
#'
#' @export
#' @examples
Expand Down Expand Up @@ -336,7 +336,7 @@ get_csid <- function(query,
#' @references Eduard Szöcs, Tamás Stirling, Eric R. Scott, Andreas Scharmüller,
#' Ralf B. Schäfer (2020). webchem: An R Package to Retrieve Chemical
#' Information from the Web. Journal of Statistical Software, 93(13).
#' <doi:10.18637/jss.v093.i13>.
#' \doi{10.18637/jss.v093.i13}.
#' @export
#' @examples
#' \dontrun{
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6 changes: 3 additions & 3 deletions R/etox.R
Expand Up @@ -25,7 +25,7 @@
#' @references Eduard Szöcs, Tamás Stirling, Eric R. Scott, Andreas Scharmüller,
#' Ralf B. Schäfer (2020). webchem: An R Package to Retrieve Chemical
#' Information from the Web. Journal of Statistical Software, 93(13).
#' <doi:10.18637/jss.v093.i13>.
#' \doi{10.18637/jss.v093.i13}.
#' @export
#' @examples
#' \dontrun{
Expand Down Expand Up @@ -153,7 +153,7 @@ get_etoxid <- function(query,
#' @references Eduard Szöcs, Tamás Stirling, Eric R. Scott, Andreas Scharmüller,
#' Ralf B. Schäfer (2020). webchem: An R Package to Retrieve Chemical
#' Information from the Web. Journal of Statistical Software, 93(13).
#' <doi:10.18637/jss.v093.i13>.
#' \doi{10.18637/jss.v093.i13}.
#' @export
#' @examples
#' \dontrun{
Expand Down Expand Up @@ -278,7 +278,7 @@ etox_basic <- function(id, verbose = TRUE) {
#' @references Eduard Szöcs, Tamás Stirling, Eric R. Scott, Andreas Scharmüller,
#' Ralf B. Schäfer (2020). webchem: An R Package to Retrieve Chemical
#' Information from the Web. Journal of Statistical Software, 93(13).
#' <doi:10.18637/jss.v093.i13>.
#' \doi{10.18637/jss.v093.i13}.
#' @export
#' @examples
#' \dontrun{
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2 changes: 1 addition & 1 deletion R/extractors.R
Expand Up @@ -7,7 +7,7 @@
#' @references Eduard Szöcs, Tamás Stirling, Eric R. Scott, Andreas Scharmüller,
#' Ralf B. Schäfer (2020). webchem: An R Package to Retrieve Chemical
#' Information from the Web. Journal of Statistical Software, 93(13).
#' <doi:10.18637/jss.v093.i13>.
#' \doi{10.18637/jss.v093.i13}.
#' @export
cas <- function(x, ...){
UseMethod("cas")
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2 changes: 1 addition & 1 deletion R/nist.R
Expand Up @@ -309,7 +309,7 @@ tidy_ritable <- function(ri_xml) {
#' "Retention Indices" in NIST Chemistry WebBook, NIST Standard Reference
#' Database Number 69, Eds. P.J. Linstrom and W.G. Mallard,
#' National Institute of Standards and Technology, Gaithersburg MD, 20899,
#' \url{https://doi.org/10.18434/T4D303}.
#' \doi{10.18434/T4D303}.
#'
#' @export
#' @note Copyright for NIST Standard Reference Data is governed by the Standard
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2 changes: 1 addition & 1 deletion R/opsin.R
Expand Up @@ -15,7 +15,7 @@
#'
#' @references Lowe, D. M., Corbett, P. T., Murray-Rust, P., & Glen, R. C. (2011).
#' Chemical Name to Structure: OPSIN, an Open Source Solution. Journal of Chemical Information and Modeling,
#' 51(3), 739–753. \url{https://doi.org/10.1021/ci100384d}
#' 51(3), 739–753. \doi{10.1021/ci100384d}
#' @examples
#' \donttest{
#' opsin_query('Cyclopropane')
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8 changes: 4 additions & 4 deletions R/pan.R
@@ -1,6 +1,6 @@
#' Query the PAN Pesticide database
#'
#' Retrieve information from the PAN database (\url{http://www.pesticideinfo.org/}).
#' Retrieve information from the PAN database (\url{https://www.pesticideinfo.org/}).
#' This function is currently broken.
#' @import xml2
#' @importFrom utils adist
Expand All @@ -13,7 +13,7 @@
#' @param verbose logical; should a verbose output be printed on the console?
#' @param ... currently not used.
#' @return a named list of 73 entries,
#' see \url{http://www.pesticideinfo.org/Docs/ref_overview.html} for more information.
#' see \url{https://www.pesticideinfo.org/about/overview.html} for more information.
#' If \code{match="best"} an additional entry \code{match_score} with the normalized
#' Levenshtein distance (0 = perfect match, 1 = worst match).
#'
Expand Down Expand Up @@ -84,7 +84,7 @@ pan_query <- function(query, from = c("name", "cas"),
if (verbose) webchem_message("na")
return(NA)
}
baseurl <- 'http://www.pesticideinfo.org/List_Chemicals.jsp?'
baseurl <- 'https://www.pesticideinfo.org/List_Chemicals.jsp?'
baseq <- paste0('ChooseSearchType=Begin&ResultCnt=50&dCAS_No=y&dEPA_PCCode=y&',
'dDPR_Chem_Code=y&dUseList=y&dClassList=y&dMol_weight=y&',
'dEPA_Reg=y&dCA_Reg=y&dPIC=y&dPOP=y&dWHOObsolete=y&dEPA_HAP=y&',
Expand Down Expand Up @@ -141,7 +141,7 @@ pan_query <- function(query, from = c("name", "cas"),
# return also source url
# xmlview::xml_view(nd, add_filter = TRUE)
source_url <- xml_attr(xml_find_all(nd, ".//a[contains(., 'Details')]"), 'href')
out[['source_url']] <- paste0('http://www.pesticideinfo.org/', source_url)
out[['source_url']] <- paste0('https://www.pesticideinfo.org/', source_url)

ind <-
matcher(
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10 changes: 5 additions & 5 deletions R/pubchem.R
Expand Up @@ -64,7 +64,7 @@
#' @references Eduard Szöcs, Tamás Stirling, Eric R. Scott, Andreas Scharmüller,
#' Ralf B. Schäfer (2020). webchem: An R Package to Retrieve Chemical
#' Information from the Web. Journal of Statistical Software, 93(13).
#' <doi:10.18637/jss.v093.i13>.
#' \doi{10.18637/jss.v093.i13}.
#' @note Please respect the Terms and Conditions of the National Library of
#' Medicine, \url{https://www.nlm.nih.gov/databases/download.html} the data
#' usage policies of National Center for Biotechnology Information,
Expand Down Expand Up @@ -296,7 +296,7 @@ get_cid <-
#' @references Eduard Szöcs, Tamás Stirling, Eric R. Scott, Andreas Scharmüller,
#' Ralf B. Schäfer (2020). webchem: An R Package to Retrieve Chemical
#' Information from the Web. Journal of Statistical Software, 93(13).
#' <doi:10.18637/jss.v093.i13>.
#' \doi{10.18637/jss.v093.i13}.
#' @note Please respect the Terms and Conditions of the National Library of
#' Medicine, \url{https://www.nlm.nih.gov/databases/download.html} the data
#' usage policies of National Center for Biotechnology Information,
Expand Down Expand Up @@ -541,7 +541,7 @@ pc_synonyms <- function(query,
#' \url{https://pubchem.ncbi.nlm.nih.gov/sources/}.
#' @references Kim, S., Thiessen, P.A., Cheng, T. et al. PUG-View: programmatic
#' access to chemical annotations integrated in PubChem. J Cheminform 11, 56
#' (2019). https://doi.org/10.1186/s13321-019-0375-2.
#' (2019). \doi{10.1186/s13321-019-0375-2}.
#' @seealso \code{\link{get_cid}}, \code{\link{pc_prop}}
#' @examples
#' # might fail if API is not available
Expand Down Expand Up @@ -592,7 +592,7 @@ pc_sect <- function(id,
#' \url{https://pubchem.ncbi.nlm.nih.gov/classification/#hid=72}.
#' @references Kim, S., Thiessen, P.A., Cheng, T. et al. PUG-View: programmatic
#' access to chemical annotations integrated in PubChem. J Cheminform 11, 56
#' (2019). https://doi.org/10.1186/s13321-019-0375-2.
#' (2019). \doi{10.1186/s13321-019-0375-2}.
#' @examples
#' # might fail if API is not available
#' \donttest{
Expand Down Expand Up @@ -671,7 +671,7 @@ pc_page <- function(id,
#' be found at \url{https://pubchem.ncbi.nlm.nih.gov/classification/#hid=72}.
#' @references Kim, S., Thiessen, P.A., Cheng, T. et al. PUG-View: programmatic
#' access to chemical annotations integrated in PubChem. J Cheminform 11, 56
#' (2019). https://doi.org/10.1186/s13321-019-0375-2.
#' (2019). \doi{10.1186/s13321-019-0375-2}.
#' @examples
#' # might fail if API is not available
#' \donttest{
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6 changes: 3 additions & 3 deletions R/utils.R
Expand Up @@ -21,7 +21,7 @@
#' @references Eduard Szöcs, Tamás Stirling, Eric R. Scott, Andreas Scharmüller,
#' Ralf B. Schäfer (2020). webchem: An R Package to Retrieve Chemical
#' Information from the Web. Journal of Statistical Software, 93(13).
#' <doi:10.18637/jss.v093.i13>.
#' \doi{10.18637/jss.v093.i13}.
#' @export
#' @examples
#' is.inchikey('BQJCRHHNABKAKU-KBQPJGBKSA-N')
Expand Down Expand Up @@ -190,7 +190,7 @@ is.inchikey_format = function(x, verbose = TRUE) {
#' @references Eduard Szöcs, Tamás Stirling, Eric R. Scott, Andreas Scharmüller,
#' Ralf B. Schäfer (2020). webchem: An R Package to Retrieve Chemical
#' Information from the Web. Journal of Statistical Software, 93(13).
#' <doi:10.18637/jss.v093.i13>.
#' \doi{10.18637/jss.v093.i13}.
#'
#' @export
#' @examples
Expand Down Expand Up @@ -336,7 +336,7 @@ extr_num <- function(x) {
#' @references Grabner, M., Varmuza, K., & Dehmer, M. (2012). RMol:
#' a toolset for transforming SD/Molfile structure information into R objects.
#' Source Code for Biology and Medicine, 7, 12.
#' \url{https://doi.org/10.1186/1751-0473-7-12}
#' \doi{10.1186/1751-0473-7-12}
#' @export

parse_mol <- function(string) {
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2 changes: 1 addition & 1 deletion R/wikidata.R
Expand Up @@ -135,7 +135,7 @@ get_wdid <-
#' @seealso \code{\link{get_wdid}}
#'
#' @references Willighagen, E., 2015. Getting CAS registry numbers out of WikiData. The Winnower.
#' \url{http://dx.doi.org/10.15200/winn.142867.72538}
#' \doi{10.15200/winn.142867.72538}
#'
#' Mitraka, Elvira, Andra Waagmeester, Sebastian Burgstaller-Muehlbacher, et al. 2015
#' Wikidata: A Platform for Data Integration and Dissemination for the Life Sciences and beyond. bioRxiv: 031971.
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2 changes: 1 addition & 1 deletion man/aw_query.Rd

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2 changes: 1 addition & 1 deletion man/chebi_comp_entity.Rd

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2 changes: 1 addition & 1 deletion man/cs_convert.Rd

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2 changes: 1 addition & 1 deletion man/etox_basic.Rd

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2 changes: 1 addition & 1 deletion man/etox_targets.Rd

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2 changes: 1 addition & 1 deletion man/extractors.Rd

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2 changes: 1 addition & 1 deletion man/get_chebiid.Rd

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2 changes: 1 addition & 1 deletion man/get_cid.Rd

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2 changes: 1 addition & 1 deletion man/get_csid.Rd

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2 changes: 1 addition & 1 deletion man/get_etoxid.Rd

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2 changes: 1 addition & 1 deletion man/is.cas.Rd

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2 changes: 1 addition & 1 deletion man/is.inchikey.Rd

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2 changes: 1 addition & 1 deletion man/nist_ri.Rd

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2 changes: 1 addition & 1 deletion man/opsin_query.Rd

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4 changes: 2 additions & 2 deletions man/pan_query.Rd

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2 changes: 1 addition & 1 deletion man/parse_mol.Rd

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2 changes: 1 addition & 1 deletion man/pc_prop.Rd

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2 changes: 1 addition & 1 deletion man/pc_sect.Rd

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2 changes: 1 addition & 1 deletion man/wd_ident.Rd

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