Hi,
I'm currently working on Mychem, and in particular, the support of Open
Babel 2.3.0. It seems that the fingerprints are not loading like before.
Here is a code example:
[...]
string instring(molecule);
string fpType(type);
istringstream inStream(instring);
char *fpStruct = NULL;
unsigned long int fpSize = 0;
unsigned long int *ulintptr = NULL;
int *intptr = NULL;
OBConversion conv;
OBMol mol;
if (conv.SetInFormat(MOLECULE_TYPE)) {
mol.Clear();
conv.Read(&mol, &inStream);
OBFingerprint *pFingerPrint = new OBFingerprint::OBFingerprint();
pFingerPrint = OBFingerprint::FindFingerprint(fpType.c_str());
if (!pFingerPrint) {
return NULL;
}
pFingerPrint->GetFingerprint(&mol, fp);
[...]
It returns always null (beacause pFingerPrint == NULL). Using the
following hack at the beginning of the file does not change anything:
#if defined(__CYGWIN__) || defined(__MINGW32__)
// macro to implement static OBPlugin::PluginMapType& Map()
PLUGIN_CPP_FILE(OBFingerprint)
#endif
But if I add the following include :
#include "finger2.cpp"
It works fine.
Any hints or suggestions about this issue ?
Thanks,
Jerome
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