Hi Chris
Yes it is working finally after i added for it to compile with
openbabel-2.lib.
Thanks alot for the help!
I wanted to output the InChi to a string but why is the string always empty?
OpenBabel::OBConversion conv(&ifs, &ofs);
OpenBabel::OBMol obMol;
conv.ReadFile(&obMol, inputmolfile);
if(!conv.SetInAndOutFormats("MOL","INCHI"))
{
cout << "Formats not available\n";
return 1;
}
conv.Write(&obMol);
string temp = conv.WriteString(&obMol);
Thank you and have a nice weekend!
On Sat, Feb 12, 2011 at 9:20 PM, Chris Morley-3 [via Open Babel] <
ml-node+3303083-1666310929-213...@n4.nabble.com> wrote:
> On 12/02/2011 19:27, Keng Cher Soh wrote:
>
> Hi Chris
>
> I installed the MSVC2008 feature pack and the ALLBUILT was built
> successfully.
>
> I think there is also a later service pack.
> I use Visual Studio's (Re)Build Solution to build OpenBabel.
>
> If i just want to use obconversion in my program, do i need to include ALL
> the openbabel .cpp and .h files into my program?
>
> when i only include obconversion.h and .cpp and tried to compile my code
> again, it gave me:
>
>
> The errors below are linker errors. The compiler must have worked ok with
> the header files you gave it, but the linker did not find the
> openbabel-2.lib. In the property page of your project, go to Configuration
> Properties, Linker, Input, Additional Dependencies and make sure that that
> openbabel-2.lib is included there, with either a complete absolute path or a
> relative path from the project file. Have a look at the babel project, which
> also only uses OBConversion. Alternatively, I _think_ a lib file can also be
> added to the project (with the cpp files).
>
>
> 1>------ Build started: Project: WinNetGen, Configuration: Debug Win32
> ------
> 1>Linking...
> 1>obconversion.obj : error LNK2019: unresolved external symbol "public: int
> __thiscall OpenBabel::OBFormat::RegisterFormat(char const *,char const *)"
> (?RegisterFormat@OBFormat@OpenBabel@@QAEHPBD0@Z) referenced in function
> "public: static int __cdecl OpenBabel::OBConversion::RegisterFormat(char
> const *,class OpenBabel::OBFormat *,char const *)"
> (?RegisterFormat@OBConversion@OpenBabel@@SAHPBDPAVOBFormat@2@0@Z)
> 1>obconversion.obj : error LNK2019: unresolved external symbol "public:
> static class OpenBabel::OBPlugin * __cdecl
> OpenBabel::OBPlugin::GetPlugin(char const *,char const *)"
> (?GetPlugin@OBPlugin@OpenBabel@@SAPAV12@PBD0@Z) referenced in function
> "protected: static int __cdecl
> OpenBabel::OBConversion::LoadFormatFiles(void)"
> (?LoadFormatFiles@OBConversion@OpenBabel@@KAHXZ)
> 1>obconversion.obj : error LNK2019: unresolved external symbol "public:
> void __thiscall OpenBabel::OBMessageHandler::ThrowError(class
> std::basic_string<char,struct std::char_traits<char>,class
> std::allocator<char> > const &,class std::basic_string<char,struct
> std::char_traits<char>,class std::allocator<char> > const &,enum
> OpenBabel::obMessageLevel,enum OpenBabel::errorQualifier)"
> (?ThrowError@OBMessageHandler@OpenBabel@@QAEXABV?$basic_string@DU
> ?$char_traits@D@std@@V?$allocator@D@2@@std@@0W4obMessageLevel@2
> @W4errorQualifier@2@@Z) referenced in function "public: int __thiscall
> OpenBabel::OBConversion::Convert(void)" (?Convert@OBConversion@OpenBabel@
> @QAEHXZ)
> 1>obconversion.obj : error LNK2001: unresolved external symbol "class
> OpenBabel::OBMessageHandler OpenBabel::obErrorLog" (?obErrorLog@OpenBabel
> @@3VOBMessageHandler@1@A)
> 1>obconversion.obj : error LNK2019: unresolved external symbol "protected:
> static class OpenBabel::OBPlugin * __cdecl
> OpenBabel::OBPlugin::BaseFindType(class std::map<char const *,class
> OpenBabel::OBPlugin *,struct OpenBabel::CharPtrLess,class
> std::allocator<struct std::pair<char const * const,class OpenBabel::OBPlugin
> *> > > &,char const *)" (?BaseFindType@OBPlugin@OpenBabel@@KAPAV12@AAV
> ?$map@PBDPAVOBPlugin@OpenBabel@@UCharPtrLess@2@V?$allocator@U
> ?$pair@QBDPAVOBPlugin@OpenBabel@@@std@@@std@@@std@@PBD@Z) referenced in
> function "public: static class OpenBabel::OBFormat * __cdecl
> OpenBabel::OBFormat::FindType(char const *)" (?FindType@OBFormat
> @OpenBabel@@SAPAV12@PBD@Z)
> 1>obconversion.obj : error LNK2019: unresolved external symbol "public:
> static class OpenBabel::OBFormat * __cdecl
> OpenBabel::OBFormat::FormatFromMIME(char const *)" (?FormatFromMIME@OBFormat
> @OpenBabel@@SAPAV12@PBD@Z) referenced in function "public: static class
> OpenBabel::OBFormat * __cdecl OpenBabel::OBConversion::FormatFromMIME(char
> const *)" (?FormatFromMIME@OBConversion@OpenBabel@@SAPAVOBFormat@2@PBD@Z)
> 1>obconversion.obj : error LNK2019: unresolved external symbol "public:
> void __thiscall OpenBabel::OBLocale::RestoreLocale(void)"
> (?RestoreLocale@OBLocale@OpenBabel@@QAEXXZ) referenced in function
> "public: bool __thiscall OpenBabel::OBConversion::Read(class
> OpenBabel::OBBase *,class std::basic_istream<char,struct
> std::char_traits<char> > *)" (?Read@OBConversion@OpenBabel@
> @QAE_NPAVOBBase@2@PAV?$basic_istream@DU?$char_traits@D@std@@@std@@@Z)
> 1>obconversion.obj : error LNK2019: unresolved external symbol "public:
> void __thiscall OpenBabel::OBLocale::SetLocale(void)" (?SetLocale@OBLocale
> @OpenBabel@@QAEXXZ) referenced in function "public: bool __thiscall
> OpenBabel::OBConversion::Read(class OpenBabel::OBBase *,class
> std::basic_istream<char,struct std::char_traits<char> > *)"
> (?Read@OBConversion@OpenBabel@@QAE_NPAVOBBase@2@PAV?$basic_istream@DU
> ?$char_traits@D@std@@@std@@@Z)
> 1>obconversion.obj : error LNK2001: unresolved external symbol "class
> OpenBabel::OBLocale OpenBabel::obLocale" (?obLocale@OpenBabel
> @@3VOBLocale@1@A)
> 1>obconversion.obj : error LNK2019: unresolved external symbol "public:
> static bool __cdecl OpenBabel::OBPlugin::ListAsVector(char const *,char
> const *,class std::vector<class std::basic_string<char,struct
> std::char_traits<char>,class std::allocator<char> >,class
> std::allocator<class std::basic_string<char,struct
> std::char_traits<char>,class std::allocator<char> > > > &)"
> (?ListAsVector@OBPlugin@OpenBabel@@SA_NPBD0AAV?$vector@V?$basic_string@DU
> ?$char_traits@D@std@@V?$allocator@D@2@@std@@V?$allocator@V
> ?$basic_string@DU?$char_traits@D@std@@V?$allocator@D@2@@std@@@2@@std@@@Z)
> referenced in function "public: class std::vector<class
> std::basic_string<char,struct std::char_traits<char>,class
> std::allocator<char> >,class std::allocator<class
> std::basic_string<char,struct std::char_traits<char>,class
> std::allocator<char> > > > __thiscall
> OpenBabel::OBConversion::GetSupportedInputFormat(void)"
> (?GetSupportedInputFormat@OBConversion@OpenBabel@@QAE?AV?$vector@V
> ?$basic_string@DU?$char_traits@D@std@@V?$allocator@D@2@@std@
> @V?$allocator@V?$basic_string@DU?$char_traits@D@std@@V?$allocator@D@2@
> @std@@@2@@std@@XZ)
> 1>obconversion.obj : error LNK2019: unresolved external symbol "protected:
> static class std::map<char const *,class OpenBabel::OBPlugin *,struct
> OpenBabel::CharPtrLess,class std::allocator<struct std::pair<char const *
> const,class OpenBabel::OBPlugin *> > > & __cdecl
> OpenBabel::OBPlugin::GetTypeMap(char const *)" (?GetTypeMap@OBPlugin
> @OpenBabel@@KAAAV?$map@PBDPAVOBPlugin@OpenBabel@@UCharPtrLess@2
> @V?$allocator@U?$pair@QBDPAVOBPlugin@OpenBabel@@@std@@@std@@@std@@PBD@Z)
> referenced in function "public: static class std::_Tree<class
> std::_Tmap_traits<char const *,class OpenBabel::OBPlugin *,struct
> OpenBabel::CharPtrLess,class std::allocator<struct std::pair<char const *
> const,class OpenBabel::OBPlugin *> >,0> >::const_iterator __cdecl
> OpenBabel::OBPlugin::Begin(char const *)" (?Begin@OBPlugin@OpenBabel@
> @SA?AVconst_iterator@?$_Tree@V?$_Tmap_traits@PBDPAVOBPlugin@OpenBabel@
> @UCharPtrLess@2@V?$allocator@U?$pair@QBDPAVOBPlugin@OpenBabel@@@std@@@std@
> @$0A@@std@@@std@@PBD@Z)
> 1>..\WinNetGen\WinNetGen.exe : fatal error LNK1120: 11 unresolved externals
>
> thank you so much for your patience and help!
>
> On Sat, Feb 12, 2011 at 7:54 PM, kc <[hidden
> email]<http://user/SendEmail.jtp?type=node&node=3303083&i=0>
> > wrote:
>
>> Hi Chris
>>
>> I saved the lib file in the libs folder but still ALLBUILT couldn't
>> compile
>> C:\Projects\openbabel\openbabel-2-3-0\windows-vc2008\libs\i386
>>
>> some of the errors:
>> 1>------ Build started: Project: ZERO_CHECK, Configuration: Release Win32
>> ------
>> 1>Checking Build System
>> 1>CMake does not need to re-run because
>> C:/Projects/openbabel/openbabel-2-3-0/windows-vc2008/build/CMakeFiles/generate.stamp
>> is up-to-date.
>> 1>CMake does not need to re-run because
>> C:/Projects/openbabel/openbabel-2-3-0/windows-vc2008/build/include/CMakeFiles/generate.stamp
>> is up-to-date.
>> 1>CMake does not need to re-run because
>> C:/Projects/openbabel/openbabel-2-3-0/windows-vc2008/build/data/CMakeFiles/generate.stamp
>> is up-to-date.
>> 1>CMake does not need to re-run because
>> C:/Projects/openbabel/openbabel-2-3-0/windows-vc2008/build/doc/CMakeFiles/generate.stamp
>> is up-to-date.
>> 1>CMake does not need to re-run because
>> C:/Projects/openbabel/openbabel-2-3-0/windows-vc2008/build/src/CMakeFiles/generate.stamp
>> is up-to-date.
>> 1>CMake does not need to re-run because
>> C:/Projects/openbabel/openbabel-2-3-0/windows-vc2008/build/src/formats/CMakeFiles/generate.stamp
>> is up-to-date.
>> 1>CMake does not need to re-run because
>> C:/Projects/openbabel/openbabel-2-3-0/windows-vc2008/build/tools/CMakeFiles/generate.stamp
>> is up-to-date.
>> 1>CMake does not need to re-run because
>> C:/Projects/openbabel/openbabel-2-3-0/windows-vc2008/build/scripts/CMakeFiles/generate.stamp
>> is up-to-date.
>> 1>Build log was saved at
>> "file://c:\Projects\openbabel\openbabel-2-3-0\windows-vc2008\build\ZERO_CHECK.dir\Release\BuildLog.htm"
>> 1>ZERO_CHECK - 0 error(s), 0 warning(s)
>> 2>------ Build started: Project: openbabel, Configuration: Release Win32
>> ------
>> 2>Compiling...
>> 2>facade.cpp
>> 2>perception.cpp
>> 2>tetrahedral.cpp
>> 2>cistrans.cpp
>> 2>squareplanar.cpp
>> 2>tetraplanar.cpp
>> 2>tetranonplanar.cpp
>> 2>stereo.cpp
>> 2>vector3.cpp
>> 2>transform3d.cpp
>> 2>spacegroup.cpp
>> 2>matrix3x3.cpp
>> 2>svgpainter.cpp
>> 2>depict.cpp
>> 2>C:\Projects\openbabel\openbabel-2-3-0\include\openbabel/shared_ptr.h(27)
>> : error C2039: 'shared_ptr' : is not a member of 'std::tr1'
>> 2>C:\Projects\openbabel\openbabel-2-3-0\include\openbabel/shared_ptr.h(27)
>> : error C2873: 'shared_ptr' : symbol cannot be used in a using-declaration
>> 2>C:\Projects\openbabel\openbabel-2-3-0\include\openbabel/alias.h(118) :
>> error C2065: 'shared_ptr' : undeclared identifier
>> 2>C:\Projects\openbabel\openbabel-2-3-0\include\openbabel/alias.h(118) :
>> error C2275: 'OpenBabel::OBSmartsPattern' : illegal use of this type as an
>> expression
>> 2>
>> C:\Projects\openbabel\openbabel-2-3-0\include\openbabel/parsmart.h(180) :
>> see declaration of 'OpenBabel::OBSmartsPattern'
>> 2>C:\Projects\openbabel\openbabel-2-3-0\include\openbabel/alias.h(118) :
>> error C3203: 'pair' : unspecialized class template can't be used as a
>> template argument for template parameter '_Ty', expected a real type
>> 2>C:\Projects\openbabel\openbabel-2-3-0\include\openbabel/alias.h(118) :
>> error C2955: 'std::pair' : use of class template requires template argument
>> list
>> 2> C:\Program Files (x86)\Microsoft Visual Studio
>> 9.0\VC\include\utility(30) : see declaration of 'std::pair'
>> 2>C:\Projects\openbabel\openbabel-2-3-0\include\openbabel/alias.h(118) :
>> error C2059: syntax error : '>'
>> 2>C:\Projects\openbabel\openbabel-2-3-0\include\openbabel/alias.h(118) :
>> error C2238: unexpected token(s) preceding ';'
>> 2>C:\Projects\openbabel\openbabel-2-3-0\include\openbabel/alias.h(119) :
>> error C2061: syntax error : identifier 'SmartsTable'
>> 2>dlhandler_win32.cpp
>> 2>obmolecformat.cpp
>> ....
>>
>> Thanks alot for your help!
>>
>> best rgds
>> keng
>>
>> On Sat, Feb 12, 2011 at 5:53 PM, Chris Morley-3 [via Open Babel] <[hidden
>> email] <http://user/SendEmail.jtp?type=node&node=3303008&i=0>> wrote:
>>
>>> On 12/02/2011 15:02, kc wrote:
>>>
>>> Hi Chris
>>>
>>> Thanks for your reply!
>>>
>>> I checked the build/src/Debug folder and it is empty. When i opened the
>>> openbabel solution and tried to build the ALL_BUILD, i had over 3000 errors
>>> (buildlog as attached).
>>>
>>> best rgds
>>>
>>>
>>>
>>> *BuildLog.htm* (1M) Download
>>> Attachment<http://attachment/3302769/0/BuildLog.htm?by-user=t>
>>>
>>> I couldn't see your BuildLog with Thunderbird. I guess it is too big
>>> for the mailing list. I can't tell why you are having such bad problems.
>>>
>>> As an alternative, download
>>> http://gaseq.co.uk/OB/2-3-0/openbabel-2.zipwhich contains the lib file to
>>> be used with the DLL from the windows
>>> installer version.
>>>
>>> Chris
>>>
>>>
>
> ------------------------------------------------------------------------------
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The ultimate all-in-one performance toolkit: Intel(R) Parallel Studio XE:
Pinpoint memory and threading errors before they happen.
Find and fix more than 250 security defects in the development cycle.
Locate bottlenecks in serial and parallel code that limit performance.
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