| Back to Build/check report for BioC 3.18: simplified long |
|
This page was generated on 2023-06-06 11:00:28 -0000 (Tue, 06 Jun 2023).
| Hostname | OS | Arch (*) | R version | Installed pkgs |
|---|---|---|---|---|
| kunpeng2 | Linux (openEuler 22.03 LTS-SP1) | aarch64 | 4.3.0 (2023-04-21) -- "Already Tomorrow" | 4366 |
| Click on any hostname to see more info about the system (e.g. compilers) (*) as reported by 'uname -p', except on Windows and Mac OS X | ||||
|
To the developers/maintainers of the ChemmineR package: - Allow up to 24 hours (and sometimes 48 hours) for your latest push to git@git.bioconductor.org:packages/ChemmineR.git to reflect on this report. See Troubleshooting Build Report for more information. - Use the following Renviron settings to reproduce errors and warnings. Note: If "R CMD check" recently failed on the Linux builder over a missing dependency, add the missing dependency to "Suggests" in your DESCRIPTION file. See the Renviron.bioc for details. |
| Package 314/2199 | Hostname | OS / Arch | INSTALL | BUILD | CHECK | BUILD BIN | ||||||||
| ChemmineR 3.53.0 (landing page) Thomas Girke
| kunpeng2 | Linux (openEuler 22.03 LTS-SP1) / aarch64 | OK | OK | WARNINGS | |||||||||
| Package: ChemmineR |
| Version: 3.53.0 |
| Command: /home/biocbuild/R/R-4.3.0/bin/R CMD check --install=check:ChemmineR.install-out.txt --library=/home/biocbuild/R/R-4.3.0/site-library --timings ChemmineR_3.53.0.tar.gz |
| StartedAt: 2023-06-05 19:16:14 -0000 (Mon, 05 Jun 2023) |
| EndedAt: 2023-06-05 19:19:03 -0000 (Mon, 05 Jun 2023) |
| EllapsedTime: 169.2 seconds |
| RetCode: 0 |
| Status: WARNINGS |
| CheckDir: ChemmineR.Rcheck |
| Warnings: 2 |
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###
### Running command:
###
### /home/biocbuild/R/R-4.3.0/bin/R CMD check --install=check:ChemmineR.install-out.txt --library=/home/biocbuild/R/R-4.3.0/site-library --timings ChemmineR_3.53.0.tar.gz
###
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* using log directory ‘/home/biocbuild/bbs-3.18-bioc/meat/ChemmineR.Rcheck’
* using R version 4.3.0 (2023-04-21)
* using platform: aarch64-unknown-linux-gnu (64-bit)
* R was compiled by
gcc (GCC) 10.3.1
GNU Fortran (GCC) 10.3.1
* running under: openEuler 22.03 (LTS-SP1)
* using session charset: UTF-8
* checking for file ‘ChemmineR/DESCRIPTION’ ... OK
* checking extension type ... Package
* this is package ‘ChemmineR’ version ‘3.53.0’
* checking package namespace information ... OK
* checking package dependencies ... NOTE
Package which this enhances but not available for checking: ‘ChemmineOB’
* checking if this is a source package ... OK
* checking if there is a namespace ... OK
* checking for hidden files and directories ... OK
* checking for portable file names ... OK
* checking for sufficient/correct file permissions ... OK
* checking whether package ‘ChemmineR’ can be installed ... OK
* used C++ compiler: ‘g++ (GCC) 10.3.1’
* checking installed package size ... OK
* checking package directory ... OK
* checking ‘build’ directory ... OK
* checking DESCRIPTION meta-information ... NOTE
Package listed in more than one of Depends, Imports, Suggests, Enhances:
‘png’
A package should be listed in only one of these fields.
* checking top-level files ... OK
* checking for left-over files ... OK
* checking index information ... OK
* checking package subdirectories ... WARNING
Invalid citation information in ‘inst/CITATION’:
Error in (function (bibtype, textVersion = NULL, header = NULL, footer = NULL, key = NULL, ..., other = list(), mheader = NULL, mfooter = NULL) { BibTeX_names <- names(BibLaTeX_entry_field_db) args <- c(list(...), other) if (!length(args)) return(structure(list(), class = "bibentry")) if (any(vapply(names(args), .is_not_nonempty_text, FALSE))) stop("all fields have to be named") args <- c(list(bibtype = bibtype, textVersion = textVersion, header = header, footer = footer, key = key), list(...)) args <- lapply(args, .listify) other <- lapply(other, .listify) max_length <- max(vapply(c(args, other), length, 0L)) args_length <- vapply(args, length, 0L) if (!all(args_length_ok <- args_length %in% c(1L, max_length))) warning(gettextf("Not all arguments are of the same length, %s: %s", "the following need to be recycled", paste(names(args)[!args_length_ok], collapse = ", ")), domain = NA) args <- lapply(args, function(x) rep(x, length.out = max_length)) other_length <- vapply(other, length, 0L) if (!all(other_length_ok <- other_length %in% c(1L, max_length))) warning(gettextf("Not all arguments are of the same length, %s: %s", "the following need to be recycled", paste(names(other)[!other_length_ok], collapse = ", ")), domain = NA) other <- lapply(other, function(x) rep(x, length.out = max_length)) bibentry1 <- function(bibtype, textVersion, header = NULL, footer = NULL, key = NULL, ..., other = list()) { bibtype <- as.character(bibtype) stopifnot(length(bibtype) == 1L) pos <- match(tolower(bibtype), tolower(BibTeX_names)) if (is.na(pos)) stop(gettextf("%s has to be one of %s", sQuote("bibtype"), paste(BibTeX_names, collapse = ", ")), domain = NA) bibtype <- BibTeX_names[pos] rval <- c(list(...), other) rval <- rval[!vapply(rval, .is_not_nonempty_text, FALSE)] fields <- tolower(names(rval)) names(rval) <- fields attr(rval, "bibtype") <- bibtype .BibEntryCheckBibEntry1(rval) pos <- fields %in% .BibEntryNameList if (any(pos)) { for (i in which(pos)) if (!inherits(rval[[i]], "person")) rval[[i]] <- ArrangeAuthors(rval[[i]]) } pos <- fields %in% c("dateobj") | pos if (any(!pos)) { for (i in which(!pos)) rval[[i]] <- as.character(rval[[i]]) } attr(rval, "key") <- if (is.null(key)) NULL else as.character(key) if (is.null(rval[["dateobj"]])) { tdate <- try(ProcessDates(rval), TRUE) if (!inherits(tdate, "try-error")) attr(rval, "dateobj") <- tdate } else { attr(rval, "dateobj") <- rval[["dateobj"]] rval[["dateobj"]] <- NULL } if (!is.null(textVersion)) attr(rval, "textVersion") <- as.character(textVersion) if (!.is_not_nonempty_text(header)) attr(rval, "header") <- paste(header, collapse = "\n") if (!.is_not_nonempty_text(footer)) attr(rval, "footer") <- paste(footer, collapse = "\n") return(rval) } rval <- lapply(seq_along(args$bibtype), function(i) do.call("bibentry1", c(lapply(args, "[[", i), list(other = lapply(other, "[[", i))))) if (!.is_not_nonempty_text(mheader)) attr(rval, "mheader") <- paste(mheader, collapse = "\n") if (!.is_not_nonempty_text(mfooter)) attr(rval, "mfooter") <- paste(mfooter, collapse = "\n") class(rval) <- c("BibEntry", "bibentry") rval})(year = "2023", key = "_2023"): argument "bibtype" is missing, with no default
* checking R files for non-ASCII characters ... OK
* checking R files for syntax errors ... OK
* checking whether the package can be loaded ... OK
* checking whether the package can be loaded with stated dependencies ... OK
* checking whether the package can be unloaded cleanly ... OK
* checking whether the namespace can be loaded with stated dependencies ... OK
* checking whether the namespace can be unloaded cleanly ... OK
* checking loading without being on the library search path ... OK
* checking startup messages can be suppressed ... OK
* checking dependencies in R code ... NOTE
'library' or 'require' calls in package code:
‘ChemmineDrugs’ ‘ChemmineOB’ ‘RPostgreSQL’ ‘RSQLite’ ‘fmcsR’ ‘png’
‘snow’
Please use :: or requireNamespace() instead.
See section 'Suggested packages' in the 'Writing R Extensions' manual.
Namespace in Imports field not imported from: ‘BiocGenerics’
All declared Imports should be used.
Unavailable namespace imported from by a ':::' call: ‘ChemmineOB’
See the note in ?`:::` about the use of this operator.
* checking S3 generic/method consistency ... OK
* checking replacement functions ... OK
* checking foreign function calls ... OK
* checking R code for possible problems ... NOTE
Found the following possibly unsafe calls:
File ‘ChemmineR/R/sim.R’:
unlockBinding(".progress_bar_int_cnt", environment(.progress_bar))
.data.frame.to.str: no visible global function definition for
‘write.table’
.data.frame.to.str: no visible binding for global variable ‘string’
.parseV3000: no visible binding for global variable ‘AW’
.rings: no visible global function definition for ‘combn’
DUD: no visible global function definition for ‘download.file’
DUD: no visible global function definition for ‘untar’
applyOptions: no visible global function definition for ‘convertFormat’
browseJob: no visible global function definition for ‘browseURL’
canonicalNumbering: no visible global function definition for
‘canonicalNumbering_OB’
canonicalNumberingOB: no visible global function definition for
‘canonicalNumbering_OB’
cluster.visualize: no visible global function definition for ‘rainbow’
cluster.visualize: no visible global function definition for ‘pdf’
cluster.visualize: no visible global function definition for
‘postscript’
cluster.visualize: no visible global function definition for ‘dev.off’
desc2fp: no visible global function definition for ‘data’
draw_sdf: no visible global function definition for ‘rgb’
draw_sdf: no visible global function definition for ‘fmcs’
exactMassOB: no visible global function definition for ‘exactMass_OB’
fingerprintOB: no visible global function definition for
‘fingerprint_OB’
getCompoundFeatures : <anonymous>: no visible global function
definition for ‘write.table’
getCompounds: no visible global function definition for ‘str’
getDbConn: no visible global function definition for ‘error’
handle_segs: no visible binding for global variable ‘C1’
handle_segs: no visible binding for global variable ‘C2’
handle_segs: no visible binding for global variable ‘C1.1’
handle_segs: no visible binding for global variable ‘C2.1’
handle_text: no visible binding for global variable ‘C1’
handle_text: no visible binding for global variable ‘C2’
listCMTools: no visible global function definition for ‘read.table’
parBatchByIndex: no visible global function definition for
‘clusterExport’
parBatchByIndex: no visible global function definition for
‘clusterApplyLB’
postgresqlWriteTable: no visible global function definition for
‘postgresqlTableRef’
postgresqlWriteTable: no visible global function definition for
‘postgresqlQuoteId’
postgresqlWriteTable: no visible global function definition for
‘postgresqlpqExec’
postgresqlWriteTable: no visible global function definition for
‘postgresqlCopyInDataframe’
postgresqlWriteTable: no visible global function definition for
‘postgresqlgetResult’
propOB: no visible global function definition for ‘prop_OB’
read.AP: no visible global function definition for ‘read.delim’
sdf2OBMol: no visible global function definition for ‘forEachMol’
sdf2image: no visible global function definition for ‘convertToImage’
sdf2smiles: no visible global function definition for ‘convertFormat’
sdf2smilesOB: no visible global function definition for ‘convertFormat’
sdfStream: no visible global function definition for ‘write.table’
setPriorities: no visible global function definition for
‘clusterExport’
smartsSearchOB: no visible global function definition for
‘smartsSearch_OB’
smile2sdfFile: no visible global function definition for
‘convertFormatFile’
smiles2sdf: no visible global function definition for ‘convertFormat’
smiles2sdfOB: no visible global function definition for ‘convertFormat’
write.SMI: no visible global function definition for ‘write.table’
Undefined global functions or variables:
AW C1 C1.1 C2 C2.1 browseURL canonicalNumbering_OB clusterApplyLB
clusterExport combn convertFormat convertFormatFile convertToImage
data dev.off download.file error exactMass_OB fingerprint_OB fmcs
forEachMol pdf postgresqlCopyInDataframe postgresqlQuoteId
postgresqlTableRef postgresqlgetResult postgresqlpqExec postscript
prop_OB rainbow read.delim read.table rgb smartsSearch_OB str string
untar write.table
Consider adding
importFrom("grDevices", "dev.off", "pdf", "postscript", "rainbow",
"rgb")
importFrom("utils", "browseURL", "combn", "data", "download.file",
"read.delim", "read.table", "str", "untar", "write.table")
to your NAMESPACE file.
* checking Rd files ... NOTE
checkRd: (-1) cmp.duplicated.Rd:29: Escaped LaTeX specials: \$
* checking Rd metadata ... OK
* checking Rd cross-references ... OK
* checking for missing documentation entries ... WARNING
Undocumented S4 methods:
generic '$' and siglist '_p_Descriptors'
generic '[' and siglist 'ExternalReferenceSwig'
generic '[<-' and siglist 'ExternalReferenceSwig'
generic 'coerce' and siglist 'ExternalReferenceSwig,character'
generic 'length' and siglist 'SWIGArray'
All user-level objects in a package (including S4 classes and methods)
should have documentation entries.
See chapter ‘Writing R documentation files’ in the ‘Writing R
Extensions’ manual.
* checking for code/documentation mismatches ... OK
* checking Rd \usage sections ... OK
* checking Rd contents ... OK
* checking for unstated dependencies in examples ... OK
* checking contents of ‘data’ directory ... OK
* checking data for non-ASCII characters ... OK
* checking data for ASCII and uncompressed saves ... OK
* checking line endings in C/C++/Fortran sources/headers ... OK
* checking line endings in Makefiles ... OK
* checking compilation flags in Makevars ... OK
* checking for GNU extensions in Makefiles ... OK
* checking for portable use of $(BLAS_LIBS) and $(LAPACK_LIBS) ... OK
* checking use of PKG_*FLAGS in Makefiles ... OK
* checking compiled code ... NOTE
Note: information on .o files is not available
File ‘/home/biocbuild/R/R-4.3.0/site-library/ChemmineR/libs/ChemmineR.so’:
Found ‘_ZSt4cerr’, possibly from ‘std::cerr’ (C++)
Found ‘_ZSt4cout’, possibly from ‘std::cout’ (C++)
Compiled code should not call entry points which might terminate R nor
write to stdout/stderr instead of to the console, nor use Fortran I/O
nor system RNGs nor [v]sprintf. The detected symbols are linked into
the code but might come from libraries and not actually be called.
See ‘Writing portable packages’ in the ‘Writing R Extensions’ manual.
* checking files in ‘vignettes’ ... OK
* checking examples ... OK
* checking for unstated dependencies in ‘tests’ ... OK
* checking tests ...
Running ‘runTests.R’
OK
* checking for unstated dependencies in vignettes ... OK
* checking package vignettes in ‘inst/doc’ ... OK
* checking running R code from vignettes ...
‘ChemmineR.Rmd’ using ‘UTF-8’... OK
NONE
* checking re-building of vignette outputs ... OK
* checking PDF version of manual ... OK
* DONE
Status: 2 WARNINGs, 6 NOTEs
See
‘/home/biocbuild/bbs-3.18-bioc/meat/ChemmineR.Rcheck/00check.log’
for details.
ChemmineR.Rcheck/00install.out
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###
### Running command:
###
### /home/biocbuild/R/R-4.3.0/bin/R CMD INSTALL ChemmineR
###
##############################################################################
##############################################################################
* installing to library ‘/home/biocbuild/R/R-4.3.0/site-library’
* installing *source* package ‘ChemmineR’ ...
** using staged installation
** libs
using C++ compiler: ‘g++ (GCC) 10.3.1’
g++ -std=gnu++17 -I"/home/biocbuild/R/R-4.3.0/include" -DNDEBUG -I'/home/biocbuild/R/R-4.3.0/site-library/Rcpp/include' -I'/home/biocbuild/R/R-4.3.0/library/BH/include' -I/usr/local/include -DNO_MAIN -DNO_DEBUG -fPIC -g -O2 -c DisjointSets.cpp -o DisjointSets.o
g++ -std=gnu++17 -I"/home/biocbuild/R/R-4.3.0/include" -DNDEBUG -I'/home/biocbuild/R/R-4.3.0/site-library/Rcpp/include' -I'/home/biocbuild/R/R-4.3.0/library/BH/include' -I/usr/local/include -DNO_MAIN -DNO_DEBUG -fPIC -g -O2 -c cluster.cc -o cluster.o
g++ -std=gnu++17 -I"/home/biocbuild/R/R-4.3.0/include" -DNDEBUG -I'/home/biocbuild/R/R-4.3.0/site-library/Rcpp/include' -I'/home/biocbuild/R/R-4.3.0/library/BH/include' -I/usr/local/include -DNO_MAIN -DNO_DEBUG -fPIC -g -O2 -c cstrsplit.cc -o cstrsplit.o
In file included from /home/biocbuild/R/R-4.3.0/library/BH/include/boost/bind/mem_fn.hpp:25,
from /home/biocbuild/R/R-4.3.0/library/BH/include/boost/mem_fn.hpp:22,
from /home/biocbuild/R/R-4.3.0/library/BH/include/boost/function/detail/prologue.hpp:18,
from /home/biocbuild/R/R-4.3.0/library/BH/include/boost/function.hpp:30,
from /home/biocbuild/R/R-4.3.0/library/BH/include/boost/algorithm/string/detail/find_iterator.hpp:18,
from /home/biocbuild/R/R-4.3.0/library/BH/include/boost/algorithm/string/find_iterator.hpp:24,
from /home/biocbuild/R/R-4.3.0/library/BH/include/boost/algorithm/string/iter_find.hpp:27,
from /home/biocbuild/R/R-4.3.0/library/BH/include/boost/algorithm/string/split.hpp:16,
from /home/biocbuild/R/R-4.3.0/library/BH/include/boost/algorithm/string.hpp:23,
from cstrsplit.cc:7:
/home/biocbuild/R/R-4.3.0/library/BH/include/boost/get_pointer.hpp:48:40: warning: ‘template<class> class std::auto_ptr’ is deprecated [-Wdeprecated-declarations]
48 | template<class T> T * get_pointer(std::auto_ptr<T> const& p)
| ^~~~~~~~
In file included from /usr/include/c++/10.3.1/bits/locale_conv.h:41,
from /usr/include/c++/10.3.1/locale:43,
from /usr/include/c++/10.3.1/iomanip:43,
from /home/biocbuild/R/R-4.3.0/site-library/Rcpp/include/RcppCommon.h:53,
from /home/biocbuild/R/R-4.3.0/site-library/Rcpp/include/Rcpp.h:27,
from cstrsplit.cc:2:
/usr/include/c++/10.3.1/bits/unique_ptr.h:57:28: note: declared here
57 | template<typename> class auto_ptr;
| ^~~~~~~~
g++ -std=gnu++17 -I"/home/biocbuild/R/R-4.3.0/include" -DNDEBUG -I'/home/biocbuild/R/R-4.3.0/site-library/Rcpp/include' -I'/home/biocbuild/R/R-4.3.0/library/BH/include' -I/usr/local/include -DNO_MAIN -DNO_DEBUG -fPIC -g -O2 -c desc.cc -o desc.o
g++ -std=gnu++17 -I"/home/biocbuild/R/R-4.3.0/include" -DNDEBUG -I'/home/biocbuild/R/R-4.3.0/site-library/Rcpp/include' -I'/home/biocbuild/R/R-4.3.0/library/BH/include' -I/usr/local/include -DNO_MAIN -DNO_DEBUG -fPIC -g -O2 -c fingerprints.cc -o fingerprints.o
g++ -std=gnu++17 -I"/home/biocbuild/R/R-4.3.0/include" -DNDEBUG -I'/home/biocbuild/R/R-4.3.0/site-library/Rcpp/include' -I'/home/biocbuild/R/R-4.3.0/library/BH/include' -I/usr/local/include -DNO_MAIN -DNO_DEBUG -fPIC -g -O2 -c formats.cc -o formats.o
g++ -std=gnu++17 -I"/home/biocbuild/R/R-4.3.0/include" -DNDEBUG -I'/home/biocbuild/R/R-4.3.0/site-library/Rcpp/include' -I'/home/biocbuild/R/R-4.3.0/library/BH/include' -I/usr/local/include -DNO_MAIN -DNO_DEBUG -fPIC -g -O2 -c molecule.cc -o molecule.o
g++ -std=gnu++17 -I"/home/biocbuild/R/R-4.3.0/include" -DNDEBUG -I'/home/biocbuild/R/R-4.3.0/site-library/Rcpp/include' -I'/home/biocbuild/R/R-4.3.0/library/BH/include' -I/usr/local/include -DNO_MAIN -DNO_DEBUG -fPIC -g -O2 -c r_wrap.cc -o r_wrap.o
g++ -std=gnu++17 -I"/home/biocbuild/R/R-4.3.0/include" -DNDEBUG -I'/home/biocbuild/R/R-4.3.0/site-library/Rcpp/include' -I'/home/biocbuild/R/R-4.3.0/library/BH/include' -I/usr/local/include -DNO_MAIN -DNO_DEBUG -fPIC -g -O2 -c script.cc -o script.o
g++ -std=gnu++17 -I"/home/biocbuild/R/R-4.3.0/include" -DNDEBUG -I'/home/biocbuild/R/R-4.3.0/site-library/Rcpp/include' -I'/home/biocbuild/R/R-4.3.0/library/BH/include' -I/usr/local/include -DNO_MAIN -DNO_DEBUG -fPIC -g -O2 -c similarity.cc -o similarity.o
g++ -std=gnu++17 -shared -L/home/biocbuild/R/R-4.3.0/lib -L/usr/local/lib -o ChemmineR.so DisjointSets.o cluster.o cstrsplit.o desc.o fingerprints.o formats.o molecule.o r_wrap.o script.o similarity.o -L/home/biocbuild/R/R-4.3.0/lib -lR
installing to /home/biocbuild/R/R-4.3.0/site-library/00LOCK-ChemmineR/00new/ChemmineR/libs
** R
** data
** inst
** byte-compile and prepare package for lazy loading
** help
*** installing help indices
** building package indices
** installing vignettes
** testing if installed package can be loaded from temporary location
** checking absolute paths in shared objects and dynamic libraries
** testing if installed package can be loaded from final location
** testing if installed package keeps a record of temporary installation path
* DONE (ChemmineR)
ChemmineR.Rcheck/tests/runTests.Rout
R version 4.3.0 (2023-04-21) -- "Already Tomorrow"
Copyright (C) 2023 The R Foundation for Statistical Computing
Platform: aarch64-unknown-linux-gnu (64-bit)
R is free software and comes with ABSOLUTELY NO WARRANTY.
You are welcome to redistribute it under certain conditions.
Type 'license()' or 'licence()' for distribution details.
R is a collaborative project with many contributors.
Type 'contributors()' for more information and
'citation()' on how to cite R or R packages in publications.
Type 'demo()' for some demos, 'help()' for on-line help, or
'help.start()' for an HTML browser interface to help.
Type 'q()' to quit R.
> BiocGenerics:::testPackage("ChemmineR")
======= testing fpset ===============================================
======= folding...
Loading required package: RSQLite
[1] "createing db"
[1] "createing db"
[1] "loading first half, no features"
[1] "createing db"
[1] "loading first half,with features"
adding new features to existing compounds. This could take a while
[1] "loading incomplete features"
[1] "loading second half"
adding new features to existing compounds. This could take a while
[1] "done loading"
[1] "createing db"
adding new features to existing compounds. This could take a while
[1] "found 70 compounds"
[1] "found 20 compounds"
Timing stopped at: 0 0 0.001
Error in DEACTIVATED("local test") : local test
In addition: There were 15 warnings (use warnings() to see them)
Timing stopped at: 0 0 0
Error in DEACTIVATED("local test only") : local test only
found 100 ids
[1] 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218
[19] 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236
[37] 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254
[55] 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272
[73] 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290
[91] 291 292 293 294 295 296 297 298 299 300
starting parBatchByIndex
Loading required package: snow
int [1:100] 201 202 203 204 205 206 207 208 209 210 ...
NULL
[1] "results: parBench-sub-1,parBench-sub-2,parBench-sub-3,parBench-sub-4,parBench-sub-5,parBench-sub-6,parBench-sub-7,parBench-sub-8,parBench-sub-9,parBench-sub-10"
[1] "loading duplications"
loading 1 new compounds, updating 1 compounds
fetching features:
Timing stopped at: 0 0 0
Error in DEACTIVATED("causing timeout on bioc, disabling for now") :
causing timeout on bioc, disabling for now
In addition: Warning messages:
1: In for (i in seq_along(exprs)) eval(exprs[i], envir) :
closing unused connection 5 (<-localhost:11479)
2: In for (i in seq_along(exprs)) eval(exprs[i], envir) :
closing unused connection 4 (<-localhost:11479)
3: In for (i in seq_along(exprs)) eval(exprs[i], envir) :
closing unused connection 3 (<-localhost:11479)
Timing stopped at: 0.001 0 0.001
Error in DEACTIVATED("this test requires ChemmineOB, but not available") :
this test requires ChemmineOB, but not available
Timing stopped at: 0 0 0.001
Error in DEACTIVATED("this test requires ChemmineOB, but not available") :
this test requires ChemmineOB, but not available
Timing stopped at: 0 0 0.001
Error in DEACTIVATED("this test requires ChemmineOB, but not available") :
this test requires ChemmineOB, but not available
Timing stopped at: 0 0 0.001
Error in DEACTIVATED("this test requires ChemmineOB, but not available") :
this test requires ChemmineOB, but not available
Timing stopped at: 0 0 0
Error in DEACTIVATED("removed old version of function") :
removed old version of function
Timing stopped at: 0 0 0
Error in DEACTIVATED("just for manual testing") : just for manual testing
Timing stopped at: 0 0 0.001
Error in DEACTIVATED("this test requires ChemmineOB, but not available") :
this test requires ChemmineOB, but not available
Timing stopped at: 0 0 0
Error in DEACTIVATED("requires local files") : requires local files
Timing stopped at: 0 0 0
Error in DEACTIVATED("fails on ubuntu 16.04") : fails on ubuntu 16.04
Timing stopped at: 0 0 0
Error in DEACTIVATED("Causes SSL protocol version error on BioC") :
Causes SSL protocol version error on BioC
Timing stopped at: 0 0 0
Error in DEACTIVATED("this test requires ChemmineOB, but not available") :
this test requires ChemmineOB, but not available
Timing stopped at: 0.001 0 0
Error in DEACTIVATED("this test requires ChemmineOB, but not installed") :
this test requires ChemmineOB, but not installed
RUNIT TEST PROTOCOL -- Mon Jun 5 19:18:13 2023
***********************************************
Number of test functions: 16
Number of deactivated test functions: 15
Number of errors: 0
Number of failures: 0
1 Test Suite :
ChemmineR RUnit Tests - 16 test functions, 0 errors, 0 failures
Number of test functions: 16
Number of deactivated test functions: 15
Number of errors: 0
Number of failures: 0
>
> proc.time()
user system elapsed
13.207 0.337 14.459
ChemmineR.Rcheck/ChemmineR-Ex.timings
| name | user | system | elapsed | |
| AP-class | 0.362 | 0.064 | 0.426 | |
| APset-class | 0.387 | 0.064 | 0.452 | |
| ExtSDF-class | 0.001 | 0.000 | 0.001 | |
| FP-class | 0.068 | 0.004 | 0.072 | |
| FPset-class | 0.277 | 0.012 | 0.289 | |
| SDF-class | 0.046 | 0.004 | 0.050 | |
| SDF2apcmp | 0.022 | 0.000 | 0.021 | |
| SDFDataTable | 0 | 0 | 0 | |
| SDFset-class | 0.316 | 0.012 | 0.328 | |
| SDFset2SDF | 0.064 | 0.008 | 0.072 | |
| SDFset2list | 0.035 | 0.020 | 0.055 | |
| SDFstr-class | 0.269 | 0.000 | 0.270 | |
| SMI-class | 0.002 | 0.000 | 0.003 | |
| SMIset-class | 0.004 | 0.000 | 0.005 | |
| addDescriptorType | 0 | 0 | 0 | |
| addNewFeatures | 3.609 | 0.036 | 3.651 | |
| ap | 0.075 | 0.004 | 0.079 | |
| apfp | 0.002 | 0.000 | 0.002 | |
| apset | 0.003 | 0.000 | 0.004 | |
| apset2descdb | 0.258 | 0.072 | 0.330 | |
| atomblock | 0.086 | 0.004 | 0.089 | |
| atomcount | 0.182 | 0.000 | 0.182 | |
| atomprop | 0.003 | 0.000 | 0.003 | |
| atomsubset | 0.019 | 0.004 | 0.023 | |
| batchByIndex | 0 | 0 | 0 | |
| bondblock | 0.071 | 0.012 | 0.084 | |
| bonds | 0.027 | 0.000 | 0.028 | |
| browseJob | 0 | 0 | 0 | |
| bufferLines | 0 | 0 | 0 | |
| bufferResultSet | 0.001 | 0.000 | 0.000 | |
| byCluster | 0.738 | 0.024 | 0.763 | |
| canonicalNumbering | 0 | 0 | 0 | |
| canonicalize | 0 | 0 | 0 | |
| cid | 0.019 | 0.000 | 0.019 | |
| cluster.sizestat | 0.471 | 0.016 | 0.488 | |
| cluster.visualize | 0.614 | 0.011 | 0.627 | |
| cmp.cluster | 2.103 | 0.040 | 2.148 | |
| cmp.duplicated | 0.053 | 0.005 | 0.058 | |
| cmp.parse | 0.013 | 0.002 | 0.016 | |
| cmp.parse1 | 0 | 0 | 0 | |
| cmp.search | 0.630 | 0.004 | 0.636 | |
| cmp.similarity | 0.017 | 0.000 | 0.018 | |
| conMA | 0.046 | 0.010 | 0.056 | |
| connections | 0.235 | 0.006 | 0.245 | |
| datablock | 0.224 | 0.012 | 0.236 | |
| datablock2ma | 0.029 | 0.000 | 0.029 | |
| db.explain | 0.032 | 0.004 | 0.036 | |
| db.subset | 0.003 | 0.000 | 0.003 | |
| dbTransaction | 0.025 | 0.000 | 0.025 | |
| desc2fp | 0.088 | 0.000 | 0.089 | |
| draw_sdf | 0.590 | 0.008 | 0.592 | |
| exactMassOB | 0.001 | 0.000 | 0.000 | |
| findCompounds | 3.336 | 0.040 | 3.383 | |
| findCompoundsByName | 0.321 | 0.004 | 0.325 | |
| fingerprintOB | 0 | 0 | 0 | |
| fold | 0.001 | 0.000 | 0.001 | |
| foldCount | 0.001 | 0.000 | 0.001 | |
| fp2bit | 0.333 | 0.012 | 0.346 | |
| fpSim | 0.325 | 0.004 | 0.330 | |
| fptype | 0.000 | 0.000 | 0.001 | |
| fromNNMatrix | 0.731 | 0.000 | 0.733 | |
| genAPDescriptors | 0.014 | 0.000 | 0.015 | |
| genParameters | 0.366 | 0.004 | 0.371 | |
| generate3DCoords | 0 | 0 | 0 | |
| getAllCompoundIds | 0.326 | 0.000 | 0.326 | |
| getAtomAttr | 0 | 0 | 0 | |
| getBondAttr | 0 | 0 | 0 | |
| getCompoundFeatures | 3.080 | 0.016 | 3.104 | |
| getCompoundNames | 0.320 | 0.004 | 0.325 | |
| getCompounds | 0.336 | 0.000 | 0.337 | |
| getIds | 0 | 0 | 0 | |
| grepSDFset | 0.051 | 0.000 | 0.052 | |
| groups | 0.127 | 0.004 | 0.132 | |
| header | 0.089 | 0.008 | 0.097 | |
| initDb | 0.011 | 0.012 | 0.023 | |
| jarvisPatrick | 1.763 | 0.000 | 1.766 | |
| jobToken-class | 0 | 0 | 0 | |
| largestComponent | 0 | 0 | 0 | |
| launchCMTool | 0.000 | 0.000 | 0.001 | |
| listCMTools | 0 | 0 | 0 | |
| listFeatures | 0.358 | 0.004 | 0.363 | |
| loadSdf | 3.381 | 0.016 | 3.403 | |
| makeUnique | 0.016 | 0.000 | 0.017 | |
| maximallyDissimilar | 0.237 | 0.012 | 0.250 | |
| nearestNeighbors | 0.953 | 0.000 | 0.956 | |
| numBits | 0.001 | 0.000 | 0.001 | |
| obmol | 0.001 | 0.000 | 0.000 | |
| openBabelPlot | 0 | 0 | 0 | |
| parBatchByIndex | 0.000 | 0.000 | 0.001 | |
| plotStruc | 0.240 | 0.012 | 0.253 | |
| propOB | 0 | 0 | 0 | |
| pubchemCidToSDF | 0.000 | 0.000 | 0.001 | |
| pubchemFPencoding | 0.000 | 0.003 | 0.003 | |
| pubchemInchi2cid | 0 | 0 | 0 | |
| pubchemInchikey2sdf | 0 | 0 | 0 | |
| pubchemName2CID | 0.000 | 0.000 | 0.001 | |
| pubchemSDFSearch | 0.000 | 0.001 | 0.000 | |
| pubchemSmilesSearch | 0 | 0 | 0 | |
| read.AP | 0.013 | 0.001 | 0.015 | |
| read.SDFindex | 0.014 | 0.000 | 0.015 | |
| read.SDFset | 0.535 | 0.003 | 0.539 | |
| read.SDFstr | 0.809 | 0.003 | 0.814 | |
| read.SMIset | 0.001 | 0.000 | 0.001 | |
| regenerateCoords | 0 | 0 | 0 | |
| result | 0 | 0 | 0 | |
| rings | 0.758 | 0.000 | 0.759 | |
| sdf.subset | 0 | 0 | 0 | |
| sdf.visualize | 0.014 | 0.000 | 0.014 | |
| sdf2ap | 0.290 | 0.036 | 0.326 | |
| sdf2list | 0.019 | 0.004 | 0.024 | |
| sdf2smiles | 0 | 0 | 0 | |
| sdf2str | 0.024 | 0.000 | 0.024 | |
| sdfStream | 0.015 | 0.000 | 0.014 | |
| sdfid | 0.016 | 0.000 | 0.016 | |
| sdfsample | 0.031 | 0.004 | 0.035 | |
| sdfstr2list | 0.420 | 0.216 | 0.638 | |
| searchSim | 0 | 0 | 0 | |
| searchString | 0.001 | 0.000 | 0.000 | |
| selectInBatches | 0 | 0 | 0 | |
| setPriorities | 0.000 | 0.000 | 0.001 | |
| smartsSearchOB | 0.001 | 0.000 | 0.000 | |
| smiles2sdf | 0 | 0 | 0 | |
| smisample | 0.002 | 0.000 | 0.003 | |
| status | 0.000 | 0.000 | 0.001 | |
| toolDetails | 0 | 0 | 0 | |
| trimNeighbors | 1.260 | 0.000 | 1.261 | |
| validSDF | 0.018 | 0.000 | 0.018 | |
| view | 0.034 | 0.008 | 0.043 | |
| write.SDF | 0.168 | 0.000 | 0.168 | |
| write.SDFsplit | 0.011 | 0.004 | 0.015 | |
| write.SMI | 0.000 | 0.001 | 0.001 | |