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Type 'q()' to quit R. > if(require("RUnit", quietly=TRUE)) { + + library(rJava) + library(fingerprint) + + ## --- Setup --- + + pkg <- "rcdk" # <-- Change to package name! + if(Sys.getenv("RCMDCHECK") == "FALSE") { + ## Path to unit tests for standalone running under Makefile (not R CMD check) + ## PKG/tests/../inst/unitTests + path <- file.path(getwd(), "..", "inst", "unitTests") + } else { + ## Path to unit tests for R CMD check + ## PKG.Rcheck/tests/../PKG/unitTests + path <- system.file(package=pkg, "unitTests") + } + cat("\nRunning unit tests\n") + print(list(pkg=pkg, getwd=getwd(), pathToUnitTests=path)) + + library(package=pkg, character.only=TRUE) + + ## If desired, load the name space to allow testing of private functions + ## if (is.element(pkg, loadedNamespaces())) + ## attach(loadNamespace(pkg), name=paste("namespace", pkg, sep=":"), pos=3) + ## + ## or simply call PKG:::myPrivateFunction() in tests + + ## --- Testing --- + + ## Define tests + testSuite <- defineTestSuite(name=paste(pkg, "rcdk Unit Tests"), + dirs=path) + ## Run + tests <- runTestSuite(testSuite) + + ## Default report name + #pathReport <- file.path(path, "report") + + ## Report to stdout and text files + cat("------------------- UNIT TEST SUMMARY ---------------------\n\n") + printTextProtocol(tests, showDetails=FALSE) + #printTextProtocol(tests, showDetails=FALSE, + # fileName=paste(pathReport, "Summary.txt", sep="")) + #printTextProtocol(tests, showDetails=TRUE, + # fileName=paste(pathReport, ".txt", sep="")) + + ## Report to HTML file + #printHTMLProtocol(tests, fileName=paste(pathReport, ".html", sep="")) + + ## Return stop() to cause R CMD check stop in case of + ## - failures i.e. FALSE to unit tests or + ## - errors i.e. R errors + tmp <- getErrors(tests) + if(tmp$nFail > 0 | tmp$nErr > 0) { + stop(paste("\n\nunit testing failed (#test failures: ", tmp$nFail, + ", #R errors: ", tmp$nErr, ")\n\n", sep="")) + } + } else { + warning("cannot run unit tests -- package RUnit is not available") + } Running unit tests $pkg [1] "rcdk" $getwd [1] "d:/RCompile/CRANincoming/R-devel/rcdk.Rcheck/tests" $pathToUnitTests [1] "D:/temp/2025_09_11_07_10_17_29407/RtmpCmTXCC/RLIBS_9ff06e6d6045/rcdk/unitTests" Loading required package: rcdklibs Executing test function test.charges ... done successfully. Executing test function test.get.hcount ... done successfully. Executing test function test.is.aromatic ... done successfully. Executing test function test.bond.order ... done successfully. Executing test function test.depictiongenerator ... done successfully. Executing test function test.atom.descriptor.conjugated.pi.system ... Processing IsProtonInConjugatedPiSystemDescriptor computed 1 descriptor values Processing VdWRadiusDescriptor computed 1 descriptor values Processing IsProtonInConjugatedPiSystemDescriptor computed 1 descriptor values Processing VdWRadiusDescriptor computed 1 descriptor values done successfully. Executing test function test.atom.descriptors.alanine ... Processing VdWRadiusDescriptor computed 1 descriptor values Processing RDFProtonDescriptor_GHR computed 15 descriptor values done successfully. Executing test function test.atom.descriptors.rdf.glutamine ... Processing RDFProtonDescriptor_GSR computed 7 descriptor values Processing RDFProtonDescriptor_GHR_topol computed 15 descriptor values Processing RDFProtonDescriptor_GHR computed 15 descriptor values Processing RDFProtonDescriptor_GDR computed 7 descriptor values Processing RDFProtonDescriptor_G3R computed 13 descriptor values done successfully. Executing test function test.fp ... done successfully. Executing test function test.fp.substructures.binary ... done successfully. Executing test function test.fp.substructures.count ... done successfully. Executing test function test.frag1 ... done successfully. Executing test function test.frag2 ... done successfully. Executing test function test.frag3 ... done successfully. Executing test function test.aromaticity.match ... done successfully. Executing test function test.match1 ... done successfully. Executing test function test.match2 ... done successfully. Executing test function test.match3 ... done successfully. Executing test function test.match4 ... done successfully. Executing test function test.mcs1 ... done successfully. Executing test function test.mcs2 ... done successfully. Executing test function test.mcs3 ... done successfully. Executing test function test.get.properties ... done successfully. Executing test function test.set.props ... done successfully. Executing test function test.atom.count ... done successfully. Executing test function test.desc.calc ... done successfully. Executing test function test.desc.cats ... [1] "protein" "hybrid" "constitutional" "topological" [5] "electronic" "geometrical" done successfully. Executing test function test.desc.names ... done successfully. Executing test function test.exact.natural.mass ... done successfully. Executing test function test.formula ... org.openscience.cdk.stereo.StereoElementFactory WARN: Inverse wedge bond used for stereo at atom index 44 done successfully. Executing test function test.get.largest ... done successfully. Executing test function test.is.connected ... done successfully. Executing test function test.is.neutral ... done successfully. Executing test function test.get.smiles ... done successfully. Executing test function test.get.smiles2 ... done successfully. ------------------- UNIT TEST SUMMARY --------------------- RUNIT TEST PROTOCOL -- Thu Sep 11 07:30:56 2025 *********************************************** Number of test functions: 35 Number of errors: 0 Number of failures: 0 1 Test Suite : rcdk rcdk Unit Tests - 35 test functions, 0 errors, 0 failures There were 50 or more warnings (use warnings() to see the first 50) > > proc.time() user system elapsed 11.07 4.12 6.89