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CHECK report for ChemmineOB on tokay2

This page was generated on 2018-10-17 08:37:36 -0400 (Wed, 17 Oct 2018).

Package 221/1561HostnameOS / ArchINSTALLBUILDCHECKBUILD BIN
ChemmineOB 1.18.0
Thomas Girke
Snapshot Date: 2018-10-15 16:45:08 -0400 (Mon, 15 Oct 2018)
URL: https://git.bioconductor.org/packages/ChemmineOB
Branch: RELEASE_3_7
Last Commit: 46cd459
Last Changed Date: 2018-04-30 10:35:31 -0400 (Mon, 30 Apr 2018)
malbec2 Linux (Ubuntu 16.04.1 LTS) / x86_64  OK  OK  OK UNNEEDED, same version exists in internal repository
tokay2 Windows Server 2012 R2 Standard / x64  OK  OK [ OK ] OK UNNEEDED, same version exists in internal repository
merida2 OS X 10.11.6 El Capitan / x86_64  OK  OK  WARNINGS  OK UNNEEDED, same version exists in internal repository

Summary

Package: ChemmineOB
Version: 1.18.0
Command: C:\Users\biocbuild\bbs-3.7-bioc\R\bin\R.exe CMD check --force-multiarch --install=check:ChemmineOB.install-out.txt --library=C:\Users\biocbuild\bbs-3.7-bioc\R\library --no-vignettes --timings ChemmineOB_1.18.0.tar.gz
StartedAt: 2018-10-17 01:01:28 -0400 (Wed, 17 Oct 2018)
EndedAt: 2018-10-17 01:03:35 -0400 (Wed, 17 Oct 2018)
EllapsedTime: 127.0 seconds
RetCode: 0
Status:  OK  
CheckDir: ChemmineOB.Rcheck
Warnings: 0

Command output

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###
### Running command:
###
###   C:\Users\biocbuild\bbs-3.7-bioc\R\bin\R.exe CMD check --force-multiarch --install=check:ChemmineOB.install-out.txt --library=C:\Users\biocbuild\bbs-3.7-bioc\R\library --no-vignettes --timings ChemmineOB_1.18.0.tar.gz
###
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* using log directory 'C:/Users/biocbuild/bbs-3.7-bioc/meat/ChemmineOB.Rcheck'
* using R version 3.5.1 Patched (2018-07-24 r75005)
* using platform: x86_64-w64-mingw32 (64-bit)
* using session charset: ISO8859-1
* using option '--no-vignettes'
* checking for file 'ChemmineOB/DESCRIPTION' ... OK
* checking extension type ... Package
* this is package 'ChemmineOB' version '1.18.0'
* 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 ... OK
* checking for portable file names ... OK
* checking whether package 'ChemmineOB' can be installed ... OK
* checking installed package size ... NOTE
  installed size is 17.1Mb
  sub-directories of 1Mb or more:
    R                2.3Mb
    libs            12.6Mb
    openbabel_data   2.0Mb
* checking package directory ... OK
* checking 'build' directory ... OK
* checking DESCRIPTION meta-information ... NOTE
Package listed in more than one of Depends, Imports, Suggests, Enhances:
  'ChemmineR'
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 ... OK
* checking R files for non-ASCII characters ... OK
* checking R files for syntax errors ... OK
* loading checks for arch 'i386'
** 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
* loading checks for arch 'x64'
** 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
Namespaces in Imports field not imported from:
  'BiocGenerics' 'Rcpp'
  All declared Imports should be used.
* checking S3 generic/method consistency ... OK
* checking replacement functions ... OK
* checking foreign function calls ... OK
* checking R code for possible problems ... NOTE
copyToC: no visible global function definition for 'RSWIG_createNewRef'
copyToC,OpenBabel::CharPtrLess: no visible global function definition
  for 'RSWIG_createNewRef'
copyToC,OpenBabel::DoubleType: no visible global function definition
  for 'RSWIG_createNewRef'
copyToC,OpenBabel::FptIndexHeader: no visible global function
  definition for 'RSWIG_createNewRef'
copyToC,OpenBabel::LineSearchType: no visible global function
  definition for 'RSWIG_createNewRef'
copyToC,std::pair<(unsigned int,unsigned int)>: no visible global
  function definition for 'RSWIG_createNewRef'
copyToC,stringp: no visible global function definition for
  'RSWIG_createNewRef'
delete,_p_OpenBabel__AliasData: no visible global function definition
  for 'delete_OpenBabel__AliasData'
delete,_p_OpenBabel__CharPtrLess: no visible global function definition
  for 'delete_OpenBabel__CharPtrLess'
delete,_p_OpenBabel__DoubleType: no visible global function definition
  for 'delete_OpenBabel__DoubleType'
delete,_p_OpenBabel__FastSearch: no visible global function definition
  for 'delete_OpenBabel__FastSearch'
delete,_p_OpenBabel__FastSearchIndexer: no visible global function
  definition for 'delete_OpenBabel__FastSearchIndexer'
delete,_p_OpenBabel__FptIndexHeader: no visible global function
  definition for 'delete_OpenBabel__FptIndexHeader'
delete,_p_OpenBabel__LineSearchType: no visible global function
  definition for 'delete_OpenBabel__LineSearchType'
delete,_p_OpenBabel__OBAngle: no visible global function definition for
  'delete_OpenBabel__OBAngle'
delete,_p_OpenBabel__OBAngleData: no visible global function definition
  for 'delete_OpenBabel__OBAngleData'
delete,_p_OpenBabel__OBAromaticTyper: no visible global function
  definition for 'delete_OpenBabel__OBAromaticTyper'
delete,_p_OpenBabel__OBAtom: no visible global function definition for
  'delete_OpenBabel__OBAtom'
delete,_p_OpenBabel__OBAtomAtomIter: no visible global function
  definition for 'delete_OpenBabel__OBAtomAtomIter'
delete,_p_OpenBabel__OBAtomBondIter: no visible global function
  definition for 'delete_OpenBabel__OBAtomBondIter'
delete,_p_OpenBabel__OBAtomClassData: no visible global function
  definition for 'delete_OpenBabel__OBAtomClassData'
delete,_p_OpenBabel__OBAtomTyper: no visible global function definition
  for 'delete_OpenBabel__OBAtomTyper'
delete,_p_OpenBabel__OBBase: no visible global function definition for
  'delete_OpenBabel__OBBase'
delete,_p_OpenBabel__OBBitVec: no visible global function definition
  for 'delete_OpenBabel__OBBitVec'
delete,_p_OpenBabel__OBBond: no visible global function definition for
  'delete_OpenBabel__OBBond'
delete,_p_OpenBabel__OBBuilder: no visible global function definition
  for 'delete_OpenBabel__OBBuilder'
delete,_p_OpenBabel__OBChainsParser: no visible global function
  definition for 'delete_OpenBabel__OBChainsParser'
delete,_p_OpenBabel__OBChiralData: no visible global function
  definition for 'delete_OpenBabel__OBChiralData'
delete,_p_OpenBabel__OBCommentData: no visible global function
  definition for 'delete_OpenBabel__OBCommentData'
delete,_p_OpenBabel__OBConformerData: no visible global function
  definition for 'delete_OpenBabel__OBConformerData'
delete,_p_OpenBabel__OBConversion: no visible global function
  definition for 'delete_OpenBabel__OBConversion'
delete,_p_OpenBabel__OBDOSData: no visible global function definition
  for 'delete_OpenBabel__OBDOSData'
delete,_p_OpenBabel__OBDescriptor: no visible global function
  definition for 'delete_OpenBabel__OBDescriptor'
delete,_p_OpenBabel__OBElectronicTransitionData: no visible global
  function definition for
  'delete_OpenBabel__OBElectronicTransitionData'
delete,_p_OpenBabel__OBElement: no visible global function definition
  for 'delete_OpenBabel__OBElement'
delete,_p_OpenBabel__OBElementTable: no visible global function
  definition for 'delete_OpenBabel__OBElementTable'
delete,_p_OpenBabel__OBError: no visible global function definition for
  'delete_OpenBabel__OBError'
delete,_p_OpenBabel__OBExternalBond: no visible global function
  definition for 'delete_OpenBabel__OBExternalBond'
delete,_p_OpenBabel__OBExternalBondData: no visible global function
  definition for 'delete_OpenBabel__OBExternalBondData'
delete,_p_OpenBabel__OBFFCalculation2: no visible global function
  definition for 'delete_OpenBabel__OBFFCalculation2'
delete,_p_OpenBabel__OBFFCalculation3: no visible global function
  definition for 'delete_OpenBabel__OBFFCalculation3'
delete,_p_OpenBabel__OBFFCalculation4: no visible global function
  definition for 'delete_OpenBabel__OBFFCalculation4'
delete,_p_OpenBabel__OBFFConstraint: no visible global function
  definition for 'delete_OpenBabel__OBFFConstraint'
delete,_p_OpenBabel__OBFFConstraints: no visible global function
  definition for 'delete_OpenBabel__OBFFConstraints'
delete,_p_OpenBabel__OBFFParameter: no visible global function
  definition for 'delete_OpenBabel__OBFFParameter'
delete,_p_OpenBabel__OBFingerprint: no visible global function
  definition for 'delete_OpenBabel__OBFingerprint'
delete,_p_OpenBabel__OBForceField: no visible global function
  definition for 'delete_OpenBabel__OBForceField'
delete,_p_OpenBabel__OBFormat: no visible global function definition
  for 'delete_OpenBabel__OBFormat'
delete,_p_OpenBabel__OBGenericData: no visible global function
  definition for 'delete_OpenBabel__OBGenericData'
delete,_p_OpenBabel__OBGlobalDataBase: no visible global function
  definition for 'delete_OpenBabel__OBGlobalDataBase'
delete,_p_OpenBabel__OBGridData: no visible global function definition
  for 'delete_OpenBabel__OBGridData'
delete,_p_OpenBabel__OBInternalCoord: no visible global function
  definition for 'delete_OpenBabel__OBInternalCoord'
delete,_p_OpenBabel__OBIsotopeTable: no visible global function
  definition for 'delete_OpenBabel__OBIsotopeTable'
delete,_p_OpenBabel__OBMatrixData: no visible global function
  definition for 'delete_OpenBabel__OBMatrixData'
delete,_p_OpenBabel__OBMessageHandler: no visible global function
  definition for 'delete_OpenBabel__OBMessageHandler'
delete,_p_OpenBabel__OBMol: no visible global function definition for
  'delete_OpenBabel__OBMol'
delete,_p_OpenBabel__OBMolAngleIter: no visible global function
  definition for 'delete_OpenBabel__OBMolAngleIter'
delete,_p_OpenBabel__OBMolAtomBFSIter: no visible global function
  definition for 'delete_OpenBabel__OBMolAtomBFSIter'
delete,_p_OpenBabel__OBMolAtomDFSIter: no visible global function
  definition for 'delete_OpenBabel__OBMolAtomDFSIter'
delete,_p_OpenBabel__OBMolAtomIter: no visible global function
  definition for 'delete_OpenBabel__OBMolAtomIter'
delete,_p_OpenBabel__OBMolBondBFSIter: no visible global function
  definition for 'delete_OpenBabel__OBMolBondBFSIter'
delete,_p_OpenBabel__OBMolBondIter: no visible global function
  definition for 'delete_OpenBabel__OBMolBondIter'
delete,_p_OpenBabel__OBMolPairIter: no visible global function
  definition for 'delete_OpenBabel__OBMolPairIter'
delete,_p_OpenBabel__OBMolRingIter: no visible global function
  definition for 'delete_OpenBabel__OBMolRingIter'
delete,_p_OpenBabel__OBMolTorsionIter: no visible global function
  definition for 'delete_OpenBabel__OBMolTorsionIter'
delete,_p_OpenBabel__OBOp: no visible global function definition for
  'delete_OpenBabel__OBOp'
delete,_p_OpenBabel__OBOrbital: no visible global function definition
  for 'delete_OpenBabel__OBOrbital'
delete,_p_OpenBabel__OBOrbitalData: no visible global function
  definition for 'delete_OpenBabel__OBOrbitalData'
delete,_p_OpenBabel__OBPairData: no visible global function definition
  for 'delete_OpenBabel__OBPairData'
delete,_p_OpenBabel__OBPlugin: no visible global function definition
  for 'delete_OpenBabel__OBPlugin'
delete,_p_OpenBabel__OBRTree: no visible global function definition for
  'delete_OpenBabel__OBRTree'
delete,_p_OpenBabel__OBRandom: no visible global function definition
  for 'delete_OpenBabel__OBRandom'
delete,_p_OpenBabel__OBResidue: no visible global function definition
  for 'delete_OpenBabel__OBResidue'
delete,_p_OpenBabel__OBResidueAtomIter: no visible global function
  definition for 'delete_OpenBabel__OBResidueAtomIter'
delete,_p_OpenBabel__OBResidueData: no visible global function
  definition for 'delete_OpenBabel__OBResidueData'
delete,_p_OpenBabel__OBResidueIter: no visible global function
  definition for 'delete_OpenBabel__OBResidueIter'
delete,_p_OpenBabel__OBRing: no visible global function definition for
  'delete_OpenBabel__OBRing'
delete,_p_OpenBabel__OBRingData: no visible global function definition
  for 'delete_OpenBabel__OBRingData'
delete,_p_OpenBabel__OBRingSearch: no visible global function
  definition for 'delete_OpenBabel__OBRingSearch'
delete,_p_OpenBabel__OBRingTyper: no visible global function definition
  for 'delete_OpenBabel__OBRingTyper'
delete,_p_OpenBabel__OBRotationData: no visible global function
  definition for 'delete_OpenBabel__OBRotationData'
delete,_p_OpenBabel__OBSSMatch: no visible global function definition
  for 'delete_OpenBabel__OBSSMatch'
delete,_p_OpenBabel__OBSerialNums: no visible global function
  definition for 'delete_OpenBabel__OBSerialNums'
delete,_p_OpenBabel__OBSetData: no visible global function definition
  for 'delete_OpenBabel__OBSetData'
delete,_p_OpenBabel__OBSmartsMatcher: no visible global function
  definition for 'delete_OpenBabel__OBSmartsMatcher'
delete,_p_OpenBabel__OBSmartsPattern: no visible global function
  definition for 'delete_OpenBabel__OBSmartsPattern'
delete,_p_OpenBabel__OBSqrtTbl: no visible global function definition
  for 'delete_OpenBabel__OBSqrtTbl'
delete,_p_OpenBabel__OBStopwatch: no visible global function definition
  for 'delete_OpenBabel__OBStopwatch'
delete,_p_OpenBabel__OBSymmetryData: no visible global function
  definition for 'delete_OpenBabel__OBSymmetryData'
delete,_p_OpenBabel__OBTorsion: no visible global function definition
  for 'delete_OpenBabel__OBTorsion'
delete,_p_OpenBabel__OBTorsionData: no visible global function
  definition for 'delete_OpenBabel__OBTorsionData'
delete,_p_OpenBabel__OBTypeTable: no visible global function definition
  for 'delete_OpenBabel__OBTypeTable'
delete,_p_OpenBabel__OBUnitCell: no visible global function definition
  for 'delete_OpenBabel__OBUnitCell'
delete,_p_OpenBabel__OBVectorData: no visible global function
  definition for 'delete_OpenBabel__OBVectorData'
delete,_p_OpenBabel__OBVibrationData: no visible global function
  definition for 'delete_OpenBabel__OBVibrationData'
delete,_p_OpenBabel__OBVirtualBond: no visible global function
  definition for 'delete_OpenBabel__OBVirtualBond'
delete,_p_OpenBabel__SpaceGroup: no visible global function definition
  for 'delete_OpenBabel__SpaceGroup'
delete,_p_OpenBabel__matrix3x3: no visible global function definition
  for 'delete_OpenBabel__matrix3x3'
delete,_p_OpenBabel__obLogBuf: no visible global function definition
  for 'delete_OpenBabel__obLogBuf'
delete,_p_OpenBabel__transform3d: no visible global function definition
  for 'delete_OpenBabel__transform3d'
delete,_p_OpenBabel__vector3: no visible global function definition for
  'delete_OpenBabel__vector3'
delete,_p_std__binary_functionT_char_const_p_char_const_p_bool_t: no
  visible global function definition for
  'delete_std__binary_functionT_char_const_p_char_const_p_bool_t'
delete,_p_std__pairT_unsigned_int_unsigned_int_t: no visible global
  function definition for
  'delete_std__pairT_unsigned_int_unsigned_int_t'
delete,_p_std__stringbuf: no visible global function definition for
  'delete_std__stringbuf'
delete,_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t:
  no visible global function definition for
  'delete_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t'
delete,_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t:
  no visible global function definition for
  'delete_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t'
delete,_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t:
  no visible global function definition for
  'delete_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t'
delete,_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t:
  no visible global function definition for
  'delete_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t'
delete,_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t:
  no visible global function definition for
  'delete_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t'
delete,_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t:
  no visible global function definition for
  'delete_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t'
delete,_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t:
  no visible global function definition for
  'delete_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t'
delete,_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t:
  no visible global function definition for
  'delete_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t'
delete,_p_std__vectorT_double_std__allocatorT_double_t_t: no visible
  global function definition for
  'delete_std__vectorT_double_std__allocatorT_double_t_t'
delete,_p_std__vectorT_int_std__allocatorT_int_t_t: no visible global
  function definition for
  'delete_std__vectorT_int_std__allocatorT_int_t_t'
delete,_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t:
  no visible global function definition for
  'delete_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t'
delete,_p_std__vectorT_std__string_std__allocatorT_std__string_t_t: no
  visible global function definition for
  'delete_std__vectorT_std__string_std__allocatorT_std__string_t_t'
delete,_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t:
  no visible global function definition for
  'delete_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t'
delete,_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t:
  no visible global function definition for
  'delete_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t'
delete,_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t:
  no visible global function definition for
  'delete_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t'
delete,_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t:
  no visible global function definition for
  'delete_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t'
Undefined global functions or variables:
  RSWIG_createNewRef delete_OpenBabel__AliasData
  delete_OpenBabel__CharPtrLess delete_OpenBabel__DoubleType
  delete_OpenBabel__FastSearch delete_OpenBabel__FastSearchIndexer
  delete_OpenBabel__FptIndexHeader delete_OpenBabel__LineSearchType
  delete_OpenBabel__OBAngle delete_OpenBabel__OBAngleData
  delete_OpenBabel__OBAromaticTyper delete_OpenBabel__OBAtom
  delete_OpenBabel__OBAtomAtomIter delete_OpenBabel__OBAtomBondIter
  delete_OpenBabel__OBAtomClassData delete_OpenBabel__OBAtomTyper
  delete_OpenBabel__OBBase delete_OpenBabel__OBBitVec
  delete_OpenBabel__OBBond delete_OpenBabel__OBBuilder
  delete_OpenBabel__OBChainsParser delete_OpenBabel__OBChiralData
  delete_OpenBabel__OBCommentData delete_OpenBabel__OBConformerData
  delete_OpenBabel__OBConversion delete_OpenBabel__OBDOSData
  delete_OpenBabel__OBDescriptor
  delete_OpenBabel__OBElectronicTransitionData
  delete_OpenBabel__OBElement delete_OpenBabel__OBElementTable
  delete_OpenBabel__OBError delete_OpenBabel__OBExternalBond
  delete_OpenBabel__OBExternalBondData
  delete_OpenBabel__OBFFCalculation2 delete_OpenBabel__OBFFCalculation3
  delete_OpenBabel__OBFFCalculation4 delete_OpenBabel__OBFFConstraint
  delete_OpenBabel__OBFFConstraints delete_OpenBabel__OBFFParameter
  delete_OpenBabel__OBFingerprint delete_OpenBabel__OBForceField
  delete_OpenBabel__OBFormat delete_OpenBabel__OBGenericData
  delete_OpenBabel__OBGlobalDataBase delete_OpenBabel__OBGridData
  delete_OpenBabel__OBInternalCoord delete_OpenBabel__OBIsotopeTable
  delete_OpenBabel__OBMatrixData delete_OpenBabel__OBMessageHandler
  delete_OpenBabel__OBMol delete_OpenBabel__OBMolAngleIter
  delete_OpenBabel__OBMolAtomBFSIter delete_OpenBabel__OBMolAtomDFSIter
  delete_OpenBabel__OBMolAtomIter delete_OpenBabel__OBMolBondBFSIter
  delete_OpenBabel__OBMolBondIter delete_OpenBabel__OBMolPairIter
  delete_OpenBabel__OBMolRingIter delete_OpenBabel__OBMolTorsionIter
  delete_OpenBabel__OBOp delete_OpenBabel__OBOrbital
  delete_OpenBabel__OBOrbitalData delete_OpenBabel__OBPairData
  delete_OpenBabel__OBPlugin delete_OpenBabel__OBRTree
  delete_OpenBabel__OBRandom delete_OpenBabel__OBResidue
  delete_OpenBabel__OBResidueAtomIter delete_OpenBabel__OBResidueData
  delete_OpenBabel__OBResidueIter delete_OpenBabel__OBRing
  delete_OpenBabel__OBRingData delete_OpenBabel__OBRingSearch
  delete_OpenBabel__OBRingTyper delete_OpenBabel__OBRotationData
  delete_OpenBabel__OBSSMatch delete_OpenBabel__OBSerialNums
  delete_OpenBabel__OBSetData delete_OpenBabel__OBSmartsMatcher
  delete_OpenBabel__OBSmartsPattern delete_OpenBabel__OBSqrtTbl
  delete_OpenBabel__OBStopwatch delete_OpenBabel__OBSymmetryData
  delete_OpenBabel__OBTorsion delete_OpenBabel__OBTorsionData
  delete_OpenBabel__OBTypeTable delete_OpenBabel__OBUnitCell
  delete_OpenBabel__OBVectorData delete_OpenBabel__OBVibrationData
  delete_OpenBabel__OBVirtualBond delete_OpenBabel__SpaceGroup
  delete_OpenBabel__matrix3x3 delete_OpenBabel__obLogBuf
  delete_OpenBabel__transform3d delete_OpenBabel__vector3
  delete_std__binary_functionT_char_const_p_char_const_p_bool_t
  delete_std__pairT_unsigned_int_unsigned_int_t delete_std__stringbuf
  delete_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__OBBond_t_t
  delete_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_OpenBabel__OBGenericData_p_t_t
  delete_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_OpenBabel__OBInternalCoord_p_t_t
  delete_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OBMol_t_t
  delete_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel__OBResidue_t_t
  delete_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel__OBRing_p_t_t
  delete_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__OBRing_t_t
  delete_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t
  delete_std__vectorT_double_std__allocatorT_double_t_t
  delete_std__vectorT_int_std__allocatorT_int_t_t
  delete_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t
  delete_std__vectorT_std__string_std__allocatorT_std__string_t_t
  delete_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_std__allocatorT_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__vector3_t_t_t_t
  delete_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__allocatorT_std__vectorT_int_std__allocatorT_int_t_t_t_t
  delete_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t_t
  delete_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t
* checking Rd files ... NOTE
prepare_Rd: canonicalNumbering_OB.Rd:30-32: Dropping empty section \note
prepare_Rd: forEachMol.Rd:48-50: Dropping empty section \seealso
* checking Rd metadata ... OK
* checking Rd cross-references ... OK
* checking for missing documentation entries ... OK
* checking for code/documentation mismatches ... OK
* checking Rd \usage sections ... OK
* checking Rd contents ... OK
* checking for unstated dependencies in examples ... OK
* checking line endings in shell scripts ... 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 compiled code ... NOTE
Note: information on .o files for i386 is not available
Note: information on .o files for x64 is not available
File 'C:/Users/biocbuild/bbs-3.7-bioc/R/library/ChemmineOB/libs/i386/ChemmineOB.dll':
  Found 'abort', possibly from 'abort' (C), 'runtime' (Fortran)
  Found 'exit', possibly from 'exit' (C), 'stop' (Fortran)
  Found 'printf', possibly from 'printf' (C)
  Found 'rand', possibly from 'rand' (C)
  Found 'srand', possibly from 'srand' (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. 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 ...
** running examples for arch 'i386' ... OK
** running examples for arch 'x64' ... OK
* checking for unstated dependencies in 'tests' ... OK
* checking tests ...
** running tests for arch 'i386' ...
  Running 'runTests.R'
 OK
** running tests for arch 'x64' ...
  Running 'runTests.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: 6 NOTEs
See
  'C:/Users/biocbuild/bbs-3.7-bioc/meat/ChemmineOB.Rcheck/00check.log'
for details.



Installation output

ChemmineOB.Rcheck/00install.out

##############################################################################
##############################################################################
###
### Running command:
###
###   C:\cygwin\bin\curl.exe -O https://malbec2.bioconductor.org/BBS/3.7/bioc/src/contrib/ChemmineOB_1.18.0.tar.gz && rm -rf ChemmineOB.buildbin-libdir && mkdir ChemmineOB.buildbin-libdir && C:\Users\biocbuild\bbs-3.7-bioc\R\bin\R.exe CMD INSTALL --merge-multiarch --build --library=ChemmineOB.buildbin-libdir ChemmineOB_1.18.0.tar.gz && C:\Users\biocbuild\bbs-3.7-bioc\R\bin\R.exe CMD INSTALL ChemmineOB_1.18.0.zip && rm ChemmineOB_1.18.0.tar.gz ChemmineOB_1.18.0.zip
###
##############################################################################
##############################################################################


  % Total    % Received % Xferd  Average Speed   Time    Time     Time  Current
                                 Dload  Upload   Total   Spent    Left  Speed

  0     0    0     0    0     0      0      0 --:--:-- --:--:-- --:--:--     0
100  958k  100  958k    0     0  12.6M      0 --:--:-- --:--:-- --:--:-- 13.9M

install for i386

* installing *source* package 'ChemmineOB' ...

   **********************************************
   WARNING: this package has a configure script
         It probably needs manual configuration
   **********************************************


** libs
C:/Rtools/mingw_32/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.7-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.7-bioc/R/library/BH/include" -I"C:/Users/biocbuild/bbs-3.7-bioc/R/library/Rcpp/include"   -I"C:/extsoft/include"  -IC:/openbabel/src/i386/include   -O2 -Wall  -mtune=generic -c ChemmineOB.cpp -o ChemmineOB.o
ChemmineOB.cpp: In function 'SEXPREC* SWIG_MakePtr(void*, const char*, R_SWIG_Owner)':
ChemmineOB.cpp:953:15: warning: variable 'p' set but not used [-Wunused-but-set-variable]
   const char *p = typeName;
               ^
C:/Rtools/mingw_32/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.7-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.7-bioc/R/library/BH/include" -I"C:/Users/biocbuild/bbs-3.7-bioc/R/library/Rcpp/include"   -I"C:/extsoft/include"  -IC:/openbabel/src/i386/include   -O2 -Wall  -mtune=generic -c canonical.cpp -o canonical.o
C:/Rtools/mingw_32/bin/g++ -shared -s -static-libgcc -o ChemmineOB.dll tmp.def ChemmineOB.o canonical.o -LC:/openbabel/bin/i386/bin -lopenbabel -LC:/Users/biocbuild/bbs-3.7-bioc/R/library/zlibbioc/libs/i386 -lzlib1bioc -LC:/extsoft/lib/i386 -LC:/extsoft/lib -LC:/Users/BIOCBU˜1/BBS-3˜1.7-B/R/bin/i386 -lR
installing to C:/Users/biocbuild/bbs-3.7-bioc/meat/ChemmineOB.buildbin-libdir/ChemmineOB/libs/i386
** R
** inst
** byte-compile and prepare package for lazy loading
in method for 'copyToR' with signature '"_p_std::pair<(unsigned int,unsigned int)>"': no definition for class "_p_std::pair<(unsigned int,unsigned int)>"
in method for 'copyToR' with signature '"_p_OpenBabel::DoubleType"': no definition for class "_p_OpenBabel::DoubleType"
in method for 'copyToR' with signature '"_p_OpenBabel::CharPtrLess"': no definition for class "_p_OpenBabel::CharPtrLess"
in method for 'copyToR' with signature '"_p_OpenBabel::FptIndexHeader"': no definition for class "_p_OpenBabel::FptIndexHeader"
in method for 'copyToR' with signature '"_p_OpenBabel::LineSearchType"': no definition for class "_p_OpenBabel::LineSearchType"
** help
*** installing help indices
  converting help for package 'ChemmineOB'
    finding HTML links ... done
    OB-classes                              html  
    canonicalNumbering_OB                   html  
    convertFormat                           html  
    convertFormatFile                       html  
    convertToImage                          html  
    exactMass_OB                            html  
    fingerprint_OB                          html  
    forEachMol                              html  
    prop_OB                                 html  
    smartsSearch_OB                         html  
** building package indices
** installing vignettes
** testing if installed package can be loaded
In R CMD INSTALL

install for x64

* installing *source* package 'ChemmineOB' ...

   **********************************************
   WARNING: this package has a configure script
         It probably needs manual configuration
   **********************************************


** libs
C:/Rtools/mingw_64/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.7-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.7-bioc/R/library/BH/include" -I"C:/Users/biocbuild/bbs-3.7-bioc/R/library/Rcpp/include"   -I"C:/extsoft/include"  -IC:/openbabel/src/x64/include   -O2 -Wall  -mtune=generic -c ChemmineOB.cpp -o ChemmineOB.o
ChemmineOB.cpp: In function 'SEXPREC* SWIG_MakePtr(void*, const char*, R_SWIG_Owner)':
ChemmineOB.cpp:953:15: warning: variable 'p' set but not used [-Wunused-but-set-variable]
   const char *p = typeName;
               ^
C:/Rtools/mingw_64/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.7-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.7-bioc/R/library/BH/include" -I"C:/Users/biocbuild/bbs-3.7-bioc/R/library/Rcpp/include"   -I"C:/extsoft/include"  -IC:/openbabel/src/x64/include   -O2 -Wall  -mtune=generic -c canonical.cpp -o canonical.o
C:/Rtools/mingw_64/bin/g++ -shared -s -static-libgcc -o ChemmineOB.dll tmp.def ChemmineOB.o canonical.o -LC:/openbabel/bin/x64/bin -lopenbabel -LC:/Users/biocbuild/bbs-3.7-bioc/R/library/zlibbioc/libs/x64 -lzlib1bioc -LC:/extsoft/lib/x64 -LC:/extsoft/lib -LC:/Users/BIOCBU˜1/BBS-3˜1.7-B/R/bin/x64 -lR
installing to C:/Users/biocbuild/bbs-3.7-bioc/meat/ChemmineOB.buildbin-libdir/ChemmineOB/libs/x64
** testing if installed package can be loaded
* MD5 sums
packaged installation of 'ChemmineOB' as ChemmineOB_1.18.0.zip
* DONE (ChemmineOB)
In R CMD INSTALL
In R CMD INSTALL
* installing to library 'C:/Users/biocbuild/bbs-3.7-bioc/R/library'
package 'ChemmineOB' successfully unpacked and MD5 sums checked
In R CMD INSTALL

Tests output

ChemmineOB.Rcheck/tests_i386/runTests.Rout


R version 3.5.1 Patched (2018-07-24 r75005) -- "Feather Spray"
Copyright (C) 2018 The R Foundation for Statistical Computing
Platform: i386-w64-mingw32/i386 (32-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("ChemmineOB")
[1] "test1\n OpenBabel10171801032D\n\n  7  6  0  0  1  0  0  0  0  0999 V2000\n    0.8660   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7321   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0\n   -1.0000   -1.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5000   -1.8660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  2  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  4  7  1  0  0  0  0\nM  END\n$$$$\n"
[1] "OC(=O)C(Br)(Cl)N\ttest1\n"
[1] "OC(=O)C(Br)(Cl)N\ttest1\n"
[1] "labels:"
[[1]]
 [1] 25 47 48 16  6 55 24 15  2  7 30 33 34 37 40 19 17 18 12  9 23 22 29  5 46
[26] 27 49 50  3  4  8 57 58 32 36 35 38 39 41 42 43 44 31 20 21 13 14 28 26 10
[51] 11 45 51 52 54 53  1 56 59 60 61

==============================
*** Open Babel Warning  in Init
  Cannot initialize database 'types.txt' which may cause further errors.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
650001 mass: 456.200884636001
Timing stopped at: 0 0 0
Error in DEACTIVATED("fails on ubuntu 16.04") : fails on ubuntu 16.04
CMP1 CMP2 CMP3 CMP4 CMP5 
  24   20   14   30   10 
[1] "650001" "650002" "650003" "650004" "650005"


RUNIT TEST PROTOCOL -- Wed Oct 17 01:03:23 2018 
*********************************************** 
Number of test functions: 6 
Number of deactivated test functions: 1 
Number of errors: 0 
Number of failures: 0 

 
1 Test Suite : 
ChemmineOB RUnit Tests - 6 test functions, 0 errors, 0 failures
Number of test functions: 6 
Number of deactivated test functions: 1 
Number of errors: 0 
Number of failures: 0 
> 
> proc.time()
   user  system elapsed 
   3.71    0.17    4.03 

ChemmineOB.Rcheck/tests_x64/runTests.Rout


R version 3.5.1 Patched (2018-07-24 r75005) -- "Feather Spray"
Copyright (C) 2018 The R Foundation for Statistical Computing
Platform: x86_64-w64-mingw32/x64 (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("ChemmineOB")
[1] "test1\n OpenBabel10171801032D\n\n  7  6  0  0  1  0  0  0  0  0999 V2000\n    0.8660   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7321   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0\n   -1.0000   -1.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5000   -1.8660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  2  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  4  7  1  0  0  0  0\nM  END\n$$$$\n"
[1] "OC(=O)C(Br)(Cl)N\ttest1\n"
[1] "OC(=O)C(Br)(Cl)N\ttest1\n"
[1] "labels:"
[[1]]
 [1] 25 47 48 16  6 55 24 15  2  7 30 34 33 40 37 19 17 18 12  9 23 22 29  5 46
[26] 27 49 50  3  4  8 57 58 32 39 38 35 36 44 43 41 42 31 20 21 13 14 28 26 10
[51] 11 45 51 52 53 54  1 56 59 60 61

==============================
*** Open Babel Warning  in Init
  Cannot initialize database 'types.txt' which may cause further errors.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
==============================
*** Open Babel Warning  in Translate
  Cannot perform atom type translation: table cannot find requested types.
650001 mass: 456.200884636001
Timing stopped at: 0 0 0
Error in DEACTIVATED("fails on ubuntu 16.04") : fails on ubuntu 16.04
CMP1 CMP2 CMP3 CMP4 CMP5 
  24   20   14   30   10 
[1] "650001" "650002" "650003" "650004" "650005"


RUNIT TEST PROTOCOL -- Wed Oct 17 01:03:28 2018 
*********************************************** 
Number of test functions: 6 
Number of deactivated test functions: 1 
Number of errors: 0 
Number of failures: 0 

 
1 Test Suite : 
ChemmineOB RUnit Tests - 6 test functions, 0 errors, 0 failures
Number of test functions: 6 
Number of deactivated test functions: 1 
Number of errors: 0 
Number of failures: 0 
> 
> proc.time()
   user  system elapsed 
   3.89    0.23    4.18 

Example timings

ChemmineOB.Rcheck/examples_i386/ChemmineOB-Ex.timings

nameusersystemelapsed
canonicalNumbering_OB1.180.192.08
convertFormat0.000.000.06
convertFormatFile0.020.000.01
convertToImage0.010.000.19
exactMass_OB000
fingerprint_OB0.000.010.07
forEachMol000
prop_OB000
smartsSearch_OB0.000.000.03

ChemmineOB.Rcheck/examples_x64/ChemmineOB-Ex.timings

nameusersystemelapsed
canonicalNumbering_OB0.800.060.86
convertFormat0.000.000.05
convertFormatFile000
convertToImage0.020.000.02
exactMass_OB000
fingerprint_OB0.00.00.1
forEachMol0.020.000.01
prop_OB000
smartsSearch_OB0.000.000.04