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// $Id: rdFeatSelect.cpp 1528 2010-09-26 17:04:37Z glandrum $
//
// Copyright (C) 2005-2006 Rational Discovery LLC
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#include <cstring>
#include <RDBoost/Wrap.h>
#include <DataStructs/BitVects.h>
#include <DataStructs/BitOps.h>
namespace python = boost::python;
#include "fastentropy.h"
template <typename BV>
PyObject *runCMIM(python::list examples,unsigned int nToTake){
//std::cerr << "select " << std::endl;std::cerr.flush();
unsigned int nExamples=python::extract<int>(examples.attr("__len__")());
//std::cerr << "NEX " << nExamples << std::endl;std::cerr.flush();
python::list example=python::extract<python::list>(examples[0]);
const BV &tmpBV=python::extract<BV>(example[1]);
unsigned int exSize=python::extract<int>(example.attr("__len__")());
//std::cerr << "EXSIZE " << exSize << std::endl;std::cerr.flush();
unsigned int nBits=tmpBV.getNumBits();
//std::cerr << "nBits " << nBits << std::endl;std::cerr.flush();
unsigned int sz=(nExamples+31)/32;
uint32_t *y = new uint32_t[sz];
memset(y,0,sizeof(uint32_t)*sz);
uint32_t *raw = new uint32_t[sz*nBits];
memset(raw,0,sizeof(uint32_t)*sz*nBits);
uint32_t **x = new uint32_t *[nBits];
for(unsigned int i=0;i<nBits;i++){
x[i] = &raw[sz*i];
}
for(unsigned int i=0;i<nExamples;i++){
example=python::extract<python::list>(examples[i]);
fe_set_bit(i,y,python::extract<uint32_t>(example[exSize-1])>0);
const BV &bv=python::extract<BV>(example[1]);
//std::cerr << BitVectToText(bv) << std::endl;
for(unsigned int j=0;j<nBits;j++){
fe_set_bit(i,x[j],bv.getBit(j));
}
}
int *sels=new int[nToTake];
fe_selection_cmim(nExamples,nBits,x,y,nToTake,sels);
delete [] y;y=0;
delete [] x;x=0;
delete [] raw;raw=0;
PyObject *res = PyTuple_New(nToTake);
for(unsigned int i=0;i<nToTake;i++){
PyTuple_SetItem(res,i,PyInt_FromLong(sels[i]));
}
delete [] sels;sels=0;
return res;
}
PyObject * selectCMIM(python::list &examples,unsigned int nToTake){
PyObject *res=0;
python::list example=python::extract<python::list>(examples[0]);
python::extract<ExplicitBitVect> conv(example[1]);
if(conv.check()){
res = runCMIM<ExplicitBitVect>(examples,nToTake);
} else {
res = runCMIM<SparseBitVect>(examples,nToTake);
}
return res;
}
BOOST_PYTHON_MODULE(rdFeatSelect)
{
fe_init_tables();
python::scope().attr("__doc__") =
"Module containing functions for feature selection"
;
std::string docString="";
python::def("selectCMIM", selectCMIM,
docString.c_str());
}
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