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rdkit/Code/notes.txt
Greg Landrum 75a79b6327 initial import
2006-05-06 22:20:08 +00:00

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General information:
- the workspace RDCode.dsw should contain all projects
- the magic for copying files in the post-build step is something
like this:
copy Release\cAlgorithms.pyd $(RDBASE)\Python\ML\Cluster
i.e. you *can* reference environment variables
Things to remember whilst writing extension modules:
- don't forget to update the include and link paths and turn off
precompiled headers (unless you are really using them)
- don't forget to initialize Numeric
- interaction with Numeric data is most easily done using this paradigm:
accum += ((double *)origMetricsContig->data)[(p2*(p2-1))/2+p1];
((double *)newMetricMat->data)[tempIdx] = accum;
- when programming the windows, it's useful to use the XXX_API methods that
microsoft's wizard provides for DLLs. These do, however, need to
have extern "C" added to them, so you get something like this in
your .h file:
#ifdef WIN32
#ifdef CALGORITHMS_EXPORTS
#define CALGORITHMS_API extern "C" __declspec(dllexport)
#else
#define CALGORITHMS_API extern "C" __declspec(dllimport)
#endif
#include <windows.h>
#else // WIN32
#define CALGORITHMS_API extern "C"
#endif
you'll also need to include the magic DLLMain foo in your .cpp
file:
#ifdef WIN32
BOOL APIENTRY DllMain( HANDLE hModule,
DWORD ul_reason_for_call,
LPVOID lpReserved
)
{
switch (ul_reason_for_call)
{
case DLL_PROCESS_ATTACH:
case DLL_THREAD_ATTACH:
case DLL_THREAD_DETACH:
case DLL_PROCESS_DETACH:
break;
}
return TRUE;
}
#endif