mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-03 21:44:30 +08:00
clean up some legacy cruft
This commit is contained in:
Greg Landrum
@@ -1,117 +0,0 @@
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@@ -1,180 +0,0 @@
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||||
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||||
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|
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||||
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||||
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||||
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||||
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!MESSAGE This is not a valid makefile. To build this project using NMAKE,
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||||
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||||
!MESSAGE "FileParsers - Win32 Release" (based on "Win32 (x86) Static Library")
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||||
!MESSAGE "FileParsers - Win32 Debug" (based on "Win32 (x86) Static Library")
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||||
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||||
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|
||||
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|
||||
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|
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|
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||||
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||||
# ADD CPP /nologo /MDd /W3 /GR /GX /ZI /Od /I "$(RDBASE)/Code" /I "$(RDBASE)/Code/GraphMol/" /I "$(RDBASE)\external\boost_1_29_0" /D "WIN32" /D "_DEBUG" /D "_MBCS" /D "_LIB" /FD /GZ /c
|
||||
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# ADD RSC /l 0x409 /d "_DEBUG"
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||||
|
||||
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||||
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||||
|
||||
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|
||||
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|
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|
||||
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|
||||
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|
||||
|
||||
SOURCE=.\SDMolSupplier.cpp
|
||||
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|
||||
|
||||
SOURCE=.\SDWriter.cpp
|
||||
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|
||||
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|
||||
|
||||
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|
||||
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|
||||
|
||||
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|
||||
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||||
|
||||
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|
||||
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||||
|
||||
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@@ -1,106 +0,0 @@
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|
||||
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||||
|
||||
CFG=testMolSupplier - Win32 Debug
|
||||
!MESSAGE This is not a valid makefile. To build this project using NMAKE,
|
||||
!MESSAGE use the Export Makefile command and run
|
||||
!MESSAGE
|
||||
!MESSAGE NMAKE /f "testMolSupplier.mak".
|
||||
!MESSAGE
|
||||
!MESSAGE You can specify a configuration when running NMAKE
|
||||
!MESSAGE by defining the macro CFG on the command line. For example:
|
||||
!MESSAGE
|
||||
!MESSAGE NMAKE /f "testMolSupplier.mak" CFG="testMolSupplier - Win32 Debug"
|
||||
!MESSAGE
|
||||
!MESSAGE Possible choices for configuration are:
|
||||
!MESSAGE
|
||||
!MESSAGE "testMolSupplier - Win32 Release" (based on "Win32 (x86) Console Application")
|
||||
!MESSAGE "testMolSupplier - Win32 Debug" (based on "Win32 (x86) Console Application")
|
||||
!MESSAGE
|
||||
|
||||
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||||
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|
||||
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|
||||
CPP=cl.exe
|
||||
RSC=rc.exe
|
||||
|
||||
!IF "$(CFG)" == "testMolSupplier - Win32 Release"
|
||||
|
||||
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|
||||
# PROP BASE Use_Debug_Libraries 0
|
||||
# PROP BASE Output_Dir "Release"
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|
||||
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|
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|
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LIB32=link.exe -lib
|
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# ADD BASE CPP /nologo /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /c
|
||||
# ADD CPP /nologo /MD /W3 /GX /O2 /I "$(RDBASE)/External/$(BOOSTBASE)" /I "." /I "$(RDBASE)/code" /I "$(RDBASE)/code/graphmol" /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /FD /c
|
||||
# SUBTRACT CPP /YX
|
||||
# ADD BASE RSC /l 0x409 /d "NDEBUG"
|
||||
# ADD RSC /l 0x409 /d "NDEBUG"
|
||||
BSC32=bscmake.exe
|
||||
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|
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|
||||
LINK32=link.exe
|
||||
# ADD BASE LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /machine:I386
|
||||
# ADD LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /machine:I386 /out:"./testMolSupplier.exe"
|
||||
|
||||
!ELSEIF "$(CFG)" == "testMolSupplier - Win32 Debug"
|
||||
|
||||
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|
||||
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||||
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||||
# PROP BASE Intermediate_Dir "testMolSupplier___Win32_Debug"
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|
||||
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|
||||
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||||
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||||
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||||
LIB32=link.exe -lib
|
||||
# ADD BASE CPP /nologo /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /GZ /c
|
||||
# ADD CPP /nologo /MDd /W3 /Gm /GR /GX /ZI /Od /I "$(RDBASE)/External/$(BOOSTBASE)" /I "." /I "$(RDBASE)/code" /I "$(RDBASE)/code/graphmol" /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /FD /GZ /c
|
||||
# SUBTRACT CPP /YX
|
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# ADD RSC /l 0x409 /d "_DEBUG"
|
||||
BSC32=bscmake.exe
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# ADD BASE BSC32 /nologo
|
||||
# ADD BSC32 /nologo
|
||||
LINK32=link.exe
|
||||
# ADD BASE LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /debug /machine:I386 /pdbtype:sept
|
||||
# ADD LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /debug /machine:I386 /out:"./testMolSupplier.exe" /pdbtype:sept
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||||
|
||||
!ENDIF
|
||||
|
||||
# Begin Target
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# ADD LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /machine:I386
|
||||
|
||||
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|
||||
|
||||
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|
||||
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||||
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||||
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|
||||
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||||
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|
||||
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||||
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||||
# ADD LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /debug /machine:I386 /pdbtype:sept
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||||
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||||
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||||
|
||||
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||||
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|
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|
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|
||||
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||||
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|
||||
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|
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# SUBTRACT CPP /YX /Yc /Yu
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# ADD MTL /nologo /D "_DEBUG" /mktyplib203 /win32
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# ADD LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /dll /debug /machine:I386 /out:"Debug/Clustering.pyd" /pdbtype:sept /libpath:"c:\python22\libs"
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|
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||||
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||||
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||||
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||||
!MESSAGE This is not a valid makefile. To build this project using NMAKE,
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!MESSAGE by defining the macro CFG on the command line. For example:
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||||
!MESSAGE
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||||
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||||
!MESSAGE Possible choices for configuration are:
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||||
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||||
!MESSAGE "cQuantize - Win32 Release" (based on "Win32 (x86) Dynamic-Link Library")
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||||
!MESSAGE "cQuantize - Win32 Debug" (based on "Win32 (x86) Dynamic-Link Library")
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||||
# ADD CPP /nologo /MTd /W3 /Gm /GX /ZI /Od /I "$(PYTHONHOME)\include" /I "$(RDBASE)\Code" /D "WIN32" /D "_DEBUG" /D "_WINDOWS" /D "_MBCS" /D "_USRDLL" /D "CQUANTIZE_EXPORTS" /FD /GZ /c
|
||||
# SUBTRACT CPP /YX /Yc /Yu
|
||||
# ADD BASE MTL /nologo /D "_DEBUG" /mktyplib203 /win32
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||||
# ADD MTL /nologo /D "_DEBUG" /mktyplib203 /win32
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||||
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||||
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||||
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||||
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||||
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||||
# ADD BASE LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /dll /debug /machine:I386 /pdbtype:sept
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||||
# ADD LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /dll /debug /machine:I386 /out:"Debug/cQuantize.pyd" /pdbtype:sept /libpath:"$(PYTHONHOME)\libs"
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||||
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|
||||
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||||
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||||
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||||
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||||
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||||
|
||||
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|
||||
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|
||||
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|
||||
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||||
|
||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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|
||||
# ADD BASE LIB32 /nologo
|
||||
# ADD LIB32 /nologo
|
||||
|
||||
!ENDIF
|
||||
|
||||
# Begin Target
|
||||
|
||||
# Name "RDGeneral - Win32 Release"
|
||||
# Name "RDGeneral - Win32 Debug"
|
||||
# Begin Group "Source Files"
|
||||
|
||||
# PROP Default_Filter "cpp;c;cxx;rc;def;r;odl;idl;hpj;bat"
|
||||
# Begin Source File
|
||||
|
||||
SOURCE=.\Invariant.cpp
|
||||
# End Source File
|
||||
# Begin Source File
|
||||
|
||||
SOURCE=.\point.cpp
|
||||
# End Source File
|
||||
# Begin Source File
|
||||
|
||||
SOURCE=.\types.cpp
|
||||
# End Source File
|
||||
# Begin Source File
|
||||
|
||||
SOURCE=.\utils.cpp
|
||||
# End Source File
|
||||
# End Group
|
||||
# Begin Group "Header Files"
|
||||
|
||||
# PROP Default_Filter "h;hpp;hxx;hm;inl"
|
||||
# End Group
|
||||
# End Target
|
||||
# End Project
|
||||
@@ -1,63 +0,0 @@
|
||||
# Microsoft Developer Studio Project File - Name="Tests" - Package Owner=<4>
|
||||
# Microsoft Developer Studio Generated Build File, Format Version 6.00
|
||||
# ** DO NOT EDIT **
|
||||
|
||||
# TARGTYPE "Win32 (x86) Generic Project" 0x010a
|
||||
|
||||
CFG=Tests - Win32 Debug
|
||||
!MESSAGE This is not a valid makefile. To build this project using NMAKE,
|
||||
!MESSAGE use the Export Makefile command and run
|
||||
!MESSAGE
|
||||
!MESSAGE NMAKE /f "Tests.mak".
|
||||
!MESSAGE
|
||||
!MESSAGE You can specify a configuration when running NMAKE
|
||||
!MESSAGE by defining the macro CFG on the command line. For example:
|
||||
!MESSAGE
|
||||
!MESSAGE NMAKE /f "Tests.mak" CFG="Tests - Win32 Debug"
|
||||
!MESSAGE
|
||||
!MESSAGE Possible choices for configuration are:
|
||||
!MESSAGE
|
||||
!MESSAGE "Tests - Win32 Release" (based on "Win32 (x86) Generic Project")
|
||||
!MESSAGE "Tests - Win32 Debug" (based on "Win32 (x86) Generic Project")
|
||||
!MESSAGE
|
||||
|
||||
# Begin Project
|
||||
# PROP AllowPerConfigDependencies 0
|
||||
# PROP Scc_ProjName ""
|
||||
# PROP Scc_LocalPath ""
|
||||
MTL=midl.exe
|
||||
|
||||
!IF "$(CFG)" == "Tests - Win32 Release"
|
||||
|
||||
# PROP BASE Use_MFC 0
|
||||
# PROP BASE Use_Debug_Libraries 0
|
||||
# PROP BASE Output_Dir "Release"
|
||||
# PROP BASE Intermediate_Dir "Release"
|
||||
# PROP BASE Target_Dir ""
|
||||
# PROP Use_MFC 0
|
||||
# PROP Use_Debug_Libraries 0
|
||||
# PROP Output_Dir "Release"
|
||||
# PROP Intermediate_Dir "Release"
|
||||
# PROP Target_Dir ""
|
||||
|
||||
!ELSEIF "$(CFG)" == "Tests - Win32 Debug"
|
||||
|
||||
# PROP BASE Use_MFC 0
|
||||
# PROP BASE Use_Debug_Libraries 1
|
||||
# PROP BASE Output_Dir "Debug"
|
||||
# PROP BASE Intermediate_Dir "Debug"
|
||||
# PROP BASE Target_Dir ""
|
||||
# PROP Use_MFC 0
|
||||
# PROP Use_Debug_Libraries 1
|
||||
# PROP Output_Dir "Debug"
|
||||
# PROP Intermediate_Dir "Debug"
|
||||
# PROP Target_Dir ""
|
||||
|
||||
!ENDIF
|
||||
|
||||
# Begin Target
|
||||
|
||||
# Name "Tests - Win32 Release"
|
||||
# Name "Tests - Win32 Debug"
|
||||
# End Target
|
||||
# End Project
|
||||
@@ -1,13 +0,0 @@
|
||||
|
||||
Notes on types:
|
||||
|
||||
If you have a method which needs to take objects as arguments, magic like this appears to work:
|
||||
|
||||
Py::Object PyBond::GetNbrAtom(const Py::Tuple& args){
|
||||
PyObject *pyObj=args[0].ptr();
|
||||
if( pyObj->ob_type != PyAtom::type_object() ){
|
||||
throw Py::ValueError("argument must be a PyAtom");
|
||||
}
|
||||
PyAtom *a = static_cast<PyAtom *>(pyObj);
|
||||
|
||||
after the contortions, _a_ contains the PyAtom that was passed as an argument.
|
||||
Reference in New Issue
Block a user