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CHECK report for RMassBank on malbec1

This page was generated on 2021-05-06 12:28:52 -0400 (Thu, 06 May 2021).

To the developers/maintainers of the RMassBank package:
Please make sure to use the following settings in order to reproduce any error or warning you see on this page.
Package 1540/1974HostnameOS / ArchINSTALLBUILDCHECKBUILD BIN
RMassBank 3.0.0  (landing page)
RMassBank at Eawag
Snapshot Date: 2021-05-05 14:51:38 -0400 (Wed, 05 May 2021)
URL: https://git.bioconductor.org/packages/RMassBank
Branch: RELEASE_3_12
Last Commit: e514334
Last Changed Date: 2020-10-27 10:46:42 -0400 (Tue, 27 Oct 2020)
malbec1Linux (Ubuntu 18.04.5 LTS) / x86_64  OK    OK    WARNINGS  UNNEEDED, same version exists in internal repository
tokay1Windows Server 2012 R2 Standard / x64  OK    OK    WARNINGS    OK  UNNEEDED, same version exists in internal repository
merida1macOS 10.14.6 Mojave / x86_64  OK    OK    WARNINGS    OK  UNNEEDED, same version exists in internal repository

Summary

Package: RMassBank
Version: 3.0.0
Command: /home/biocbuild/bbs-3.12-bioc/R/bin/R CMD check --install=check:RMassBank.install-out.txt --library=/home/biocbuild/bbs-3.12-bioc/R/library --no-vignettes --timings RMassBank_3.0.0.tar.gz
StartedAt: 2021-05-06 05:19:17 -0400 (Thu, 06 May 2021)
EndedAt: 2021-05-06 05:22:14 -0400 (Thu, 06 May 2021)
EllapsedTime: 176.8 seconds
RetCode: 0
Status:   WARNINGS  
CheckDir: RMassBank.Rcheck
Warnings: 7

Command output

##############################################################################
##############################################################################
###
### Running command:
###
###   /home/biocbuild/bbs-3.12-bioc/R/bin/R CMD check --install=check:RMassBank.install-out.txt --library=/home/biocbuild/bbs-3.12-bioc/R/library --no-vignettes --timings RMassBank_3.0.0.tar.gz
###
##############################################################################
##############################################################################


* using log directory ‘/home/biocbuild/bbs-3.12-bioc/meat/RMassBank.Rcheck’
* using R version 4.0.5 (2021-03-31)
* using platform: x86_64-pc-linux-gnu (64-bit)
* using session charset: UTF-8
* using option ‘--no-vignettes’
* checking for file ‘RMassBank/DESCRIPTION’ ... OK
* checking extension type ... Package
* this is package ‘RMassBank’ version ‘3.0.0’
* package encoding: UTF-8
* checking package namespace information ... OK
* checking package dependencies ... OK
* checking if this is a source package ... OK
* checking if there is a namespace ... OK
* checking for hidden files and directories ... NOTE
Found the following hidden files and directories:
  .BBSoptions
  .travis.yml
These were most likely included in error. See section ‘Package
structure’ in the ‘Writing R Extensions’ manual.
* checking for portable file names ... OK
* checking for sufficient/correct file permissions ... OK
* checking whether package ‘RMassBank’ can be installed ... OK
* checking installed package size ... OK
* checking package directory ... OK
* checking ‘build’ directory ... OK
* checking DESCRIPTION meta-information ... OK
* checking top-level files ... OK
* checking for left-over files ... OK
* checking index information ... OK
* checking package subdirectories ... OK
* 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 dependencies in R code ... NOTE
Unexported object imported by a ':::' call: ‘MSnbase:::writeMgfContent’
  See the note in ?`:::` about the use of this operator.
There are ::: calls to the package's namespace in its code. A package
  almost never needs to use ::: for its own objects:
  ‘.precursorTypes’
* checking S3 generic/method consistency ... OK
* checking replacement functions ... WARNING
  ‘property<-’
  ‘\S4method{property<-}{RmbSpectrum2,character,ANY,logical,character}’
  ‘\S4method{property<-}{RmbSpectrum2,character,ANY,logical,missing}’
  ‘\S4method{property<-}{RmbSpectrum2,character,ANY,missing,character}’
  ‘\S4method{property<-}{RmbSpectrum2,character,ANY,missing,missing}’
The argument of a replacement function which corresponds to the right
hand side must be named ‘value’.
* checking foreign function calls ... OK
* checking R code for possible problems ... NOTE
.buildRecord.RmbSpectrum2: no visible global function definition for
  ‘packageVersion’
.findPattern: no visible global function definition for
  ‘capture.output’
.get.mol2formula: no visible global function definition for
  ‘capture.output’
.pubChemOnline: no visible global function definition for ‘URLencode’
.selfDefinedAccessionBuilder: no visible binding for global variable
  ‘accessionBuilder’
.selfDefinedAccessionBuilder: no visible global function definition for
  ‘accessionBuilder’
addPeaks: no visible global function definition for ‘read.csv’
analyzeMsMs.formula.optimized: no visible binding for global variable
  ‘occurrenceMatrix’
checkIsotopes: no visible global function definition for ‘data’
checkIsotopes: no visible binding for global variable ‘msmsPeaks’
checkIsotopes : <anonymous> : <anonymous>: no visible global function
  definition for ‘points’
createSpecsFromPeaklists: no visible global function definition for
  ‘read.csv’
deprofile.spline : <anonymous>: no visible global function definition
  for ‘smooth.spline’
deprofile.spline : <anonymous>: no visible global function definition
  for ‘predict’
findEIC: no visible global function definition for ‘predict’
findMsMsHRperxcms.direct : getRT : <anonymous>: no visible global
  function definition for ‘median’
findMsMsHRperxcms.direct: no visible global function definition for
  ‘capture.output’
gatherDataMinimal.spectrum: no visible binding for global variable
  ‘cpd’
getCSID: no visible global function definition for ‘URLencode’
getCactus: no visible global function definition for ‘URLencode’
getCompTox: no visible global function definition for ‘URLencode’
getCtsKey: no visible global function definition for ‘URLencode’
getCtsRecord: no visible global function definition for ‘URLencode’
getMolecule: no visible global function definition for ‘capture.output’
getMonoisotopicMass: no visible global function definition for ‘data’
getPcCHEBI: no visible global function definition for ‘URLencode’
getPcIUPAC: no visible global function definition for ‘URLencode’
getPcId: no visible global function definition for ‘URLencode’
getPcInchiKey: no visible global function definition for ‘URLencode’
getPcSDF: no visible global function definition for ‘URLencode’
getPcSynonym: no visible global function definition for ‘URLencode’
loadInfolist: no visible global function definition for ‘read.csv’
loadInfolist: no visible global function definition for ‘read.csv2’
loadList: no visible global function definition for ‘read.csv’
loadList: no visible global function definition for ‘read.csv2’
makeMollist: no visible global function definition for ‘write.table’
makeRecalibration: no visible global function definition for ‘par’
mbWorkflow: no visible global function definition for ‘write.csv’
mbWorkflow : <anonymous>: no visible binding for global variable
  ‘filterOK’
mbWorkflow : <anonymous>: no visible binding for global variable ‘best’
msmsRead: no visible global function definition for ‘read.csv’
msmsRead.RAW : getRT : <anonymous>: no visible global function
  definition for ‘median’
msmsRead.RAW: no visible global function definition for
  ‘capture.output’
msmsRead.ticms2: no visible global function definition for ‘read.csv’
msmsRead.ticms2: no visible global function definition for
  ‘c.msmsWSspecs’
newStep2WorkFlow: no visible global function definition for ‘read.csv’
parseMassBank: no visible binding for global variable ‘type.convert’
parseMassBank: no visible global function definition for
  ‘flush.console’
parseMbRecord: no visible binding for global variable ‘type.convert’
parseMbRecord: no visible global function definition for
  ‘flush.console’
plotMbWorkspaces: no visible global function definition for ‘points’
plotRecalibration: no visible global function definition for ‘par’
plotRecalibration.direct: no visible global function definition for
  ‘predict’
plotRecalibration.direct: no visible global function definition for
  ‘lines’
plotRecalibration.direct: no visible global function definition for
  ‘heat.colors’
processProblematicPeaks: no visible global function definition for
  ‘write.csv’
progressBarHook: no visible global function definition for
  ‘txtProgressBar’
progressBarHook: no visible global function definition for
  ‘setTxtProgressBar’
reanalyzeFailpeak: no visible binding for global variable ‘mass.calc’
recalibrate.identity: no visible global function definition for ‘lm’
recalibrate.linear: no visible global function definition for ‘lm’
recalibrate.loess: no visible global function definition for ‘loess’
recalibrate.mean: no visible global function definition for ‘lm’
recalibrateSingleSpec: no visible global function definition for
  ‘predict’
retrieveDataWithRetry: no visible global function definition for
  ‘URLencode’
toRMB : <anonymous>: no visible global function definition for ‘median’
show,mbWorkspace: no visible global function definition for ‘str’
updateObject,RmbSpectraSet: no visible global function definition for
  ‘updateObjectFromSlots’
Undefined global functions or variables:
  URLencode accessionBuilder best c.msmsWSspecs capture.output cpd data
  filterOK flush.console heat.colors lines lm loess mass.calc median
  msmsPeaks occurrenceMatrix packageVersion par points predict read.csv
  read.csv2 setTxtProgressBar smooth.spline str txtProgressBar
  type.convert updateObjectFromSlots write.csv write.table
Consider adding
  importFrom("grDevices", "heat.colors")
  importFrom("graphics", "lines", "par", "points")
  importFrom("stats", "lm", "loess", "median", "predict",
             "smooth.spline")
  importFrom("utils", "URLencode", "capture.output", "data",
             "flush.console", "packageVersion", "read.csv", "read.csv2",
             "setTxtProgressBar", "str", "txtProgressBar",
             "type.convert", "write.csv", "write.table")
to your NAMESPACE file.
* checking Rd files ... NOTE
prepare_Rd: dot-updateObject.RmbSpectrum2.formulaSource.Rd:12-14: Dropping empty section \value
* checking Rd metadata ... WARNING
Rd files with duplicated alias 'parseMassBank':
  ‘parseMassBank.Rd’ ‘parseMbRecord.Rd’
* checking Rd cross-references ... WARNING
Missing link or links in documentation object 'dot-parseTitleString.Rd':
  ‘compileRecord’

Missing link or links in documentation object 'exportMassbank.Rd':
  ‘compileRecord’

Missing link or links in documentation object 'getAnalyticalInfo.Rd':
  ‘compileRecord’

Missing link or links in documentation object 'toMassbank.Rd':
  ‘compileRecord’

See section 'Cross-references' in the 'Writing R Extensions' manual.

* checking for missing documentation entries ... WARNING
Undocumented code objects:
  ‘buildRecord’ ‘findMsMsHRperMsp.direct’ ‘mergePeaks’ ‘mergeSpectra’
  ‘mergeSpectra.RmbSpectrum2List’ ‘property’ ‘property<-’
Undocumented S4 classes:
  ‘RmbSpectrum2’ ‘RmbSpectraSetList’ ‘RmbSpectraSet’ ‘RmbSpectrum2List’
Undocumented S4 methods:
  generic '+' and siglist 'RmbSpectraSet,ANY'
  generic '+' and siglist 'RmbSpectrum2List,ANY'
  generic '+' and siglist 'Spectrum,numeric'
  generic '-' and siglist 'RmbSpectraSet,ANY'
  generic '-' and siglist 'RmbSpectrum2List,ANY'
  generic '-' and siglist 'Spectrum,numeric'
  generic 'buildRecord' and siglist 'RmbSpectraSet'
  generic 'buildRecord' and siglist 'RmbSpectrum2'
  generic 'cleanElnoise' and siglist 'RmbSpectraSet,numeric,numeric'
  generic 'cleanElnoise' and siglist 'RmbSpectrum2,numeric,numeric'
  generic 'cleanElnoise' and siglist 'data.frame,numeric,numeric'
  generic 'fillback' and siglist 'RmbSpectraSet'
  generic 'fillback' and siglist 'RmbSpectrum2'
  generic 'fillback' and siglist 'msmsWorkspace'
  generic 'mergePeaks' and siglist 'RmbSpectrum2'
  generic 'mergePeaks' and siglist 'Spectrum'
  generic 'mergePeaks' and siglist 'data.frame'
  generic 'mergePeaks' and siglist 'matrix'
  generic 'mergeSpectra' and siglist 'RmbSpectrum2List'
  generic 'normalize' and siglist 'RmbSpectrum2'
  generic 'normalize' and siglist 'RmbSpectrum2List'
  generic 'property' and siglist 'RmbSpectrum2,character'
  generic 'property<-' and siglist
    'RmbSpectrum2,character,ANY,logical,character'
  generic 'property<-' and siglist
    'RmbSpectrum2,character,ANY,logical,missing'
  generic 'property<-' and siglist
    'RmbSpectrum2,character,ANY,missing,character'
  generic 'property<-' and siglist
    'RmbSpectrum2,character,ANY,missing,missing'
  generic 'selectPeaks' and siglist 'RmbSpectraSet'
  generic 'selectPeaks' and siglist 'Spectrum'
  generic 'toMassbank' and siglist 'RmbSpectraSet'
  generic 'toMassbank' and siglist 'RmbSpectrum2'
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 ... WARNING
Functions or methods with usage in documentation object '.buildRecord.RmbSpectraSet' but not in code:
  ‘compileRecord’

Functions or methods with usage in documentation object 'getAnalyticalInfo' but not in code:
  ‘gatherCompound’ ‘gatherSpectrum’

Codoc mismatches from documentation object 'exportMassbank':
exportMassbank
  Code: function(compiled, molfile = NULL)
  Docs: function(compiled, files, molfile)
  Argument names in docs not in code:
    files
  Mismatches in argument names:
    Position: 2 Code: molfile Docs: files
  Mismatches in argument default values:
    Name: 'molfile' Code: NULL Docs: 

Codoc mismatches from documentation object 'filterPeaksMultiplicity':
filterPeaksMultiplicity
  Code: function(w, recalcBest = TRUE)
  Docs: function(peaks, formulacol, recalcBest = TRUE)
  Argument names in code not in docs:
    w
  Argument names in docs not in code:
    peaks formulacol
  Mismatches in argument names:
    Position: 1 Code: w Docs: peaks
    Position: 2 Code: recalcBest Docs: formulacol

Codoc mismatches from documentation object 'findMz':
findMz
  Code: function(cpdID, mode = "pH", ppm = 10, deltaMz = 0, retrieval =
                 "standard", unknownMass =
                 getOption("RMassBank")$unknownMass)
  Docs: function(cpdID, mode = "pH", ppm = 10, deltaMz = 0, retrieval =
                 "standard")
  Argument names in code not in docs:
    unknownMass

Codoc mismatches from documentation object 'problematicPeaks':
problematicPeaks
  Code: function(sp)
  Docs: function(peaks_unmatched, peaks_matched, mode = "pH")
  Argument names in code not in docs:
    sp
  Argument names in docs not in code:
    peaks_unmatched peaks_matched mode
  Mismatches in argument names:
    Position: 1 Code: sp Docs: peaks_unmatched

Codoc mismatches from documentation object 'reanalyzeFailpeaks':
reanalyzeFailpeaks
  Code: function(w, custom_additions, mode, filterSettings =
                 getOption("RMassBank")$filterSettings, progressbar =
                 "progressBarHook")
  Docs: function(aggregated, custom_additions, mode, filterSettings =
                 getOption("RMassBank")$filterSettings, progressbar =
                 "progressBarHook")
  Argument names in code not in docs:
    w
  Argument names in docs not in code:
    aggregated
  Mismatches in argument names:
    Position: 1 Code: w Docs: aggregated
reanalyzeFailpeak
  Code: function(mass, custom_additions, cpdID, mode, filterSettings =
                 getOption("RMassBank")$filterSettings)
  Docs: function(custom_additions, mass, cpdID, counter, pb = NULL,
                 mode, filterSettings =
                 getOption("RMassBank")$filterSettings)
  Argument names in docs not in code:
    counter pb
  Mismatches in argument names (first 3):
    Position: 1 Code: mass Docs: custom_additions
    Position: 2 Code: custom_additions Docs: mass
    Position: 4 Code: mode Docs: counter

Codoc mismatches from documentation object 'toMassbank':
toMassbank
  Code: function(o, ...)
  Docs: function(mbdata)
  Argument names in code not in docs:
    o ...
  Argument names in docs not in code:
    mbdata
  Mismatches in argument names:
    Position: 1 Code: o Docs: mbdata

* checking Rd \usage sections ... WARNING
Undocumented arguments in documentation object 'annotator.default'
  ‘formulaTag’
Documented arguments not in \usage in documentation object 'annotator.default':
  ‘type’

Objects in \usage without \alias in documentation object '.buildRecord.RmbSpectraSet':
  ‘compileRecord’

Undocumented arguments in documentation object 'fillback'
  ‘o’ ‘...’

Undocumented arguments in documentation object 'findEIC'
  ‘polarity’ ‘msLevel’ ‘precursor’

Undocumented arguments in documentation object 'findMsMsHR'
  ‘enforcePolarity’ ‘polarity’

Undocumented arguments in documentation object 'mergePeaks.df'
  ‘peaks’ ‘dppm’ ‘dabs’ ‘int’

Documented arguments not in \usage in documentation object 'processProblematicPeaks':
  ‘mode’

Undocumented arguments in documentation object 'selectPeaks'
  ‘filter’ ‘enclos’ ‘peaks’ ‘noise’ ‘width’
Documented arguments not in \usage in documentation object 'selectPeaks':
  ‘good’ ‘bad’ ‘cleaned’ ‘best’

Functions with \usage entries need to have the appropriate \alias
entries, and all their arguments documented.
The \usage entries must correspond to syntactically valid R code.
See chapter ‘Writing R documentation files’ in the ‘Writing R
Extensions’ manual.
* checking Rd contents ... WARNING
Argument items with no description in Rd object '.updateObject.RmbSpectrum2.formulaSource':
  ‘w’

* checking for unstated dependencies in examples ... OK
* checking line endings in Makefiles ... OK
* checking for GNU extensions in Makefiles ... OK
* checking include directives in Makefiles ... OK
* checking files in ‘vignettes’ ... OK
* checking examples ... OK
* checking for unstated dependencies in ‘tests’ ... OK
* checking tests ...
  Running ‘doRUnit.R’
 OK
* checking for unstated dependencies in vignettes ... OK
* checking package vignettes in ‘inst/doc’ ... OK
* checking running R code from vignettes ... SKIPPED
* checking re-building of vignette outputs ... SKIPPED
* checking PDF version of manual ... OK
* DONE

Status: 7 WARNINGs, 4 NOTEs
See
  ‘/home/biocbuild/bbs-3.12-bioc/meat/RMassBank.Rcheck/00check.log’
for details.



Installation output

RMassBank.Rcheck/00install.out

##############################################################################
##############################################################################
###
### Running command:
###
###   /home/biocbuild/bbs-3.12-bioc/R/bin/R CMD INSTALL RMassBank
###
##############################################################################
##############################################################################


* installing to library ‘/home/biocbuild/bbs-3.12-bioc/R/library’
* installing *source* package ‘RMassBank’ ...
** using staged installation
** R
** 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
** testing if installed package can be loaded from final location
** testing if installed package keeps a record of temporary installation path
* DONE (RMassBank)

Tests output

RMassBank.Rcheck/tests/doRUnit.Rout


R version 4.0.5 (2021-03-31) -- "Shake and Throw"
Copyright (C) 2021 The R Foundation for Statistical Computing
Platform: x86_64-pc-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.

> #### doRUnit.R --- Run RUnit tests
> ####------------------------------------------------------------------------
> 
> ### Structure borrowed from rcppgls:
> ### https://github.com/eddelbuettel/rcppgsl/blob/master/tests/doRUnit.R
> 
> if(require("RUnit", quietly = TRUE)) {
+ 	if(require("RMassBankData", quietly = TRUE) && !(compareVersion(installed.packages()["RMassBankData","Version"],"1.99.0") == -1)) {
+ 		pkg <- "RMassBank"
+ 		print("Starting tests")
+ 		require(pkg, character.only=TRUE)
+ 
+ 		path <- system.file("unitTests", package = pkg)
+ 
+ 		stopifnot(file.exists(path), file.info(path.expand(path))$isdir)
+ 
+ 		source(file.path(path, "runTests.R"), echo = TRUE)
+ 	} else {
+ 		## Taking this message out until the new RMassBankData is on bioc, just to avoid confusion.
+         # message("Package RMassBankData with version > 1.99 not available, cannot run unit tests")
+ 	}
+ } else {
+ 	message("Package RUnit not available, cannot run unit tests")
+ }
NULL
> 
> proc.time()
   user  system elapsed 
  1.424   0.148   1.601 

Example timings

RMassBank.Rcheck/RMassBank-Ex.timings

nameusersystemelapsed
CTS.externalIdSubset000
CTS.externalIdTypes000
RmbDefaultSettings0.0080.0000.147
add.formula0.0080.0000.006
addMB000
addPeaks000
addPeaksManually000
aggregateSpectra0.0040.0000.001
analyzeMsMs0.0000.0000.001
annotator.default0.0000.0000.001
archiveResults0.0080.0040.012
cleanElnoise000
combineMultiplicities000
createMolfile000
dbe000
deprofile000
dot-buildRecord.RmbSpectraSet000
dot-parseTitleString000
exportMassbank000
filterLowaccResults000
filterMultiplicity000
filterPeakSatellites000
filterPeaksMultiplicity000
findMass0.8840.0280.364
findMsMsHR000
findMsMsHRperxcms000
findMz000
findMz.formula0.1560.0240.168
findProgress000
flatten000
formulastring.to.list0.0040.0000.002
gatherData0.0000.0000.001
gatherDataBabel0.0000.0000.001
gatherDataUnknown0.0000.0000.001
gatherPubChem000
getAnalyticalInfo0.0040.0000.000
getCSID000
getCactus0.1680.0200.877
getCompTox000
getCtsKey0.2160.0162.417
getCtsRecord0.0160.0080.309
getMolecule0.0800.0040.045
getPcId0.1160.0120.442
is.valid.formula0.0000.0000.001
loadInfolists000
loadList000
makeMollist0.0000.0000.001
makeRecalibration000
mbWorkflow000
order.formula0.0040.0000.003
parseMassBank000
parseMbRecord0.0000.0000.001
plotMbWorkspaces000
ppm000
problematicPeaks000
reanalyzeFailpeaks0.0040.0000.000
recalibrate000
recalibrate.addMS1data000
smiles2mass000
to.limits.rcdk0.0000.0000.002
toMassbank000
toRMB000
updateSettings000
validate000