Package: ChemmineOB

Version: 1.21.0

Command: /Library/Frameworks/R.framework/Versions/Current/Resources/bin/R CMD check --install=check:ChemmineOB.install-out.txt --library=/Library/Frameworks/R.framework/Versions/Current/Resources/library --no-vignettes --timings ChemmineOB_1.21.0.tar.gz

StartedAt: 2019-04-08 23:47:17 -0400 (Mon, 08 Apr 2019)

EndedAt: 2019-04-08 23:48:42 -0400 (Mon, 08 Apr 2019)

EllapsedTime: 84.5 seconds

RetCode: 0

Status:  WARNINGS

CheckDir: ChemmineOB.Rcheck

Warnings: 1

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### Running command:
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###   /Library/Frameworks/R.framework/Versions/Current/Resources/bin/R CMD check --install=check:ChemmineOB.install-out.txt --library=/Library/Frameworks/R.framework/Versions/Current/Resources/library --no-vignettes --timings ChemmineOB_1.21.0.tar.gz
###
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* using log directory ‘/Users/biocbuild/bbs-3.9-bioc/meat/ChemmineOB.Rcheck’
* using R Under development (unstable) (2018-11-27 r75683)
* using platform: x86_64-apple-darwin15.6.0 (64-bit)
* using session charset: UTF-8
* using option ‘--no-vignettes’
* checking for file ‘ChemmineOB/DESCRIPTION’ ... OK
* checking extension type ... Package
* this is package ‘ChemmineOB’ version ‘1.21.0’
* 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 for sufficient/correct file permissions ... OK
* checking whether package ‘ChemmineOB’ can be installed ... WARNING
Found the following significant warnings:
  ChemmineOB.cpp:563:7: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
  ChemmineOB.cpp:564:7: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
  ChemmineOB.cpp:567:2: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
  ChemmineOB.cpp:570:4: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
  ChemmineOB.cpp:614:7: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
  ChemmineOB.cpp:633:3: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
  ChemmineOB.cpp:634:3: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
  ChemmineOB.cpp:636:5: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
  ChemmineOB.cpp:648:3: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
  ChemmineOB.cpp:649:3: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
  ChemmineOB.cpp:651:5: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
  ChemmineOB.cpp:652:5: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
  ChemmineOB.cpp:31483:14: warning: explicitly assigning value of variable of type 'void *' to itself [-Wself-assign]
See ‘/Users/biocbuild/bbs-3.9-bioc/meat/ChemmineOB.Rcheck/00install.out’ for details.
* checking installed package size ... NOTE
  installed size is  6.7Mb
  sub-directories of 1Mb or more:
    R                2.4Mb
    libs             2.2Mb
    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
* 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 is not available
File ‘/Library/Frameworks/R.framework/Versions/3.6/Resources/library/ChemmineOB/libs/ChemmineOB.so’:
  Found ‘__ZNSt3__14coutE’, 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. 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 ... SKIPPED
* checking re-building of vignette outputs ... SKIPPED
* checking PDF version of manual ... OK
* DONE

Status: 1 WARNING, 6 NOTEs
See
  ‘/Users/biocbuild/bbs-3.9-bioc/meat/ChemmineOB.Rcheck/00check.log’
for details.

##############################################################################
##############################################################################
###
### Running command:
###
###   /Library/Frameworks/R.framework/Versions/Current/Resources/bin/R CMD INSTALL ChemmineOB
###
##############################################################################
##############################################################################


* installing to library ‘/Library/Frameworks/R.framework/Versions/3.6/Resources/library’
* installing *source* package ‘ChemmineOB’ ...
checking for pkg-config... /usr/local/bin/pkg-config
checking pkg-config is at least version 0.9.0... yes
checking for OPENBABEL... yes
checking for OPENBABEL... yes
checking for gcc... clang
checking whether the C compiler works... yes
checking for C compiler default output file name... a.out
checking for suffix of executables... 
checking whether we are cross compiling... no
checking for suffix of object files... o
checking whether we are using the GNU C compiler... yes
checking whether clang accepts -g... yes
checking for clang option to accept ISO C89... none needed
checking how to run the C preprocessor... clang -E
configure: creating ./config.status
config.status: creating src/Makevars
** libs
clang++ -std=gnu++11 -I"/Library/Frameworks/R.framework/Resources/include" -DNDEBUG  -I"/Library/Frameworks/R.framework/Versions/3.6/Resources/library/BH/include" -I"/Library/Frameworks/R.framework/Versions/3.6/Resources/library/Rcpp/include" -I/usr/local/include  -I/usr/local/Cellar/open-babel/2.4.1/include/openbabel-2.0    -I/usr/include/eigen3  -DUSE_BOOST -fPIC  -Wall -g -O2  -c ChemmineOB.cpp -o ChemmineOB.o
ChemmineOB.cpp:563:7: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
      register size_t l = 0;
      ^˜˜˜˜˜˜˜˜
ChemmineOB.cpp:564:7: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
      register size_t r = iter->size - 1;
      ^˜˜˜˜˜˜˜˜
ChemmineOB.cpp:567:2: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
        register size_t i = (l + r) >> 1; 
        ^˜˜˜˜˜˜˜˜
ChemmineOB.cpp:570:4: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
          register int compare = strcmp(name, iname);
          ^˜˜˜˜˜˜˜˜
ChemmineOB.cpp:614:7: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
      register size_t i = 0;
      ^˜˜˜˜˜˜˜˜
ChemmineOB.cpp:633:3: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
  register const unsigned char *u = (unsigned char *) ptr;
  ^˜˜˜˜˜˜˜˜
ChemmineOB.cpp:634:3: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
  register const unsigned char *eu =  u + sz;
  ^˜˜˜˜˜˜˜˜
ChemmineOB.cpp:636:5: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
    register unsigned char uu = *u;
    ^˜˜˜˜˜˜˜˜
ChemmineOB.cpp:648:3: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
  register unsigned char *u = (unsigned char *) ptr;
  ^˜˜˜˜˜˜˜˜
ChemmineOB.cpp:649:3: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
  register const unsigned char *eu = u + sz;
  ^˜˜˜˜˜˜˜˜
ChemmineOB.cpp:651:5: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
    register char d = *(c++);
    ^˜˜˜˜˜˜˜˜
ChemmineOB.cpp:652:5: warning: 'register' storage class specifier is deprecated and incompatible with C++1z [-Wdeprecated-register]
    register unsigned char uu;
    ^˜˜˜˜˜˜˜˜
In file included from ChemmineOB.cpp:1476:
/usr/local/Cellar/open-babel/2.4.1/include/openbabel-2.0/openbabel/griddata.h:74:12: warning: 'OpenBabel::OBGridData::GetValue' hides overloaded virtual function [-Woverloaded-virtual]
    double GetValue(int i, int j, int k) const;
           ^
/usr/local/Cellar/open-babel/2.4.1/include/openbabel-2.0/openbabel/base.h:229:32: note: hidden overloaded virtual function 'OpenBabel::OBGenericData::GetValue' declared here: different number of parameters (0 vs 3)
    virtual const std::string &GetValue()  const
                               ^
In file included from ChemmineOB.cpp:1476:
/usr/local/Cellar/open-babel/2.4.1/include/openbabel-2.0/openbabel/griddata.h:76:12: warning: 'OpenBabel::OBGridData::GetValue' hides overloaded virtual function [-Woverloaded-virtual]
    double GetValue (vector3 pos) const;
           ^
/usr/local/Cellar/open-babel/2.4.1/include/openbabel-2.0/openbabel/base.h:229:32: note: hidden overloaded virtual function 'OpenBabel::OBGenericData::GetValue' declared here: different number of parameters (0 vs 1)
    virtual const std::string &GetValue()  const
                               ^
In file included from ChemmineOB.cpp:1493:
In file included from /usr/local/Cellar/open-babel/2.4.1/include/openbabel-2.0/openbabel/forcefield.h:32:
/usr/local/Cellar/open-babel/2.4.1/include/openbabel-2.0/openbabel/grid.h:123:10: warning: 'OpenBabel::OBFloatGrid::Init' hides overloaded virtual function [-Woverloaded-virtual]
    void Init(OBMol &box,double spacing, double pad=0.0);
         ^
/usr/local/Cellar/open-babel/2.4.1/include/openbabel-2.0/openbabel/grid.h:55:18: note: hidden overloaded virtual function 'OpenBabel::OBGrid::Init' declared here: different number of parameters (1 vs 3)
    virtual void Init(OBMol &box);
                 ^
ChemmineOB.cpp:31483:14: warning: explicitly assigning value of variable of type 'void *' to itself [-Wself-assign]
  clientdata = clientdata;
  ˜˜˜˜˜˜˜˜˜˜ ^ ˜˜˜˜˜˜˜˜˜˜
16 warnings generated.
clang++ -std=gnu++11 -I"/Library/Frameworks/R.framework/Resources/include" -DNDEBUG  -I"/Library/Frameworks/R.framework/Versions/3.6/Resources/library/BH/include" -I"/Library/Frameworks/R.framework/Versions/3.6/Resources/library/Rcpp/include" -I/usr/local/include  -I/usr/local/Cellar/open-babel/2.4.1/include/openbabel-2.0    -I/usr/include/eigen3  -DUSE_BOOST -fPIC  -Wall -g -O2  -c canonical.cpp -o canonical.o
clang++ -std=gnu++11 -dynamiclib -Wl,-headerpad_max_install_names -undefined dynamic_lookup -single_module -multiply_defined suppress -L/Library/Frameworks/R.framework/Resources/lib -L/usr/local/lib -o ChemmineOB.so ChemmineOB.o canonical.o -L/usr/local/Cellar/open-babel/2.4.1/lib -lopenbabel -F/Library/Frameworks/R.framework/.. -framework R -Wl,-framework -Wl,CoreFoundation
installing to /Library/Frameworks/R.framework/Versions/3.6/Resources/library/ChemmineOB/libs
** 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
** building package indices
** installing vignettes
** testing if installed package can be loaded
* DONE (ChemmineOB)

R Under development (unstable) (2018-11-27 r75683) -- "Unsuffered Consequences"
Copyright (C) 2018 The R Foundation for Statistical Computing
Platform: x86_64-apple-darwin15.6.0 (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 OpenBabel04081923482D\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 35 36 38 39 41 42 43 44 31 20 21 13 14 28 26 10
[51] 11 45 51 52 53 54  1 56 59 60 61

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 -- Mon Apr  8 23:48:37 2019 
*********************************************** 
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 
  3.804   0.201   4.017 

name	user	system	elapsed
canonicalNumbering_OB	1.330	0.108	1.525
convertFormat	0.008	0.002	0.011
convertFormatFile	0	0	0
convertToImage	0.018	0.001	0.020
exactMass_OB	0.005	0.001	0.005
fingerprint_OB	0.006	0.001	0.008
forEachMol	0.001	0.000	0.001
prop_OB	0	0	0
smartsSearch_OB	0.003	0.000	0.003