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202 lines
7.2 KiB
C++
Executable File
202 lines
7.2 KiB
C++
Executable File
// $Id: wrap_BitOps.cpp 4946 2006-02-17 01:44:04Z glandrum $
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//
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// Copyright (C) 2003-2006 greg Landrum and Rational Discovery LLC
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//
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// @@ All Rights Reserved @@
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//
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#include <boost/python.hpp>
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#include <DataStructs/BitVects.h>
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#include <DataStructs/BitOps.h>
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namespace python = boost::python;
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// sometimes I <heart> C++ syntax:
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// the following piece of grossness is, apparently, how
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// you cast a pointer to a function that takes default
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// arguments. If you leave out the "=2" bit, you don't
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// get the default arg values.
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//SBV *(*ff1)(const SBV&,int=2) = FoldFingerprint;
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// this is fi xfor VC++ which doesn't seem to like the "=2" passed in above
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SBV *ff1(const SBV &bv1, int factor=2) {
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return FoldFingerprint(bv1,factor);
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}
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//ff1 = &FoldFingerprint(const SBV&, int=2);
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//EBV *(*ff2)(const EBV&,int) = FoldFingerprint;
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// same fix as above for VC 7.1
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EBV *ff2(const EBV &ev1, int factor=2) {
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return FoldFingerprint(ev1,factor);
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}
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template <typename T>
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double SimilarityWrapper(const T &bv1,const std::string &pkl,
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const double (*metric)(const T &,const T &)){
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double res=0.0;
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T bv2(pkl);
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if(bv1.GetNumBits()>bv2.GetNumBits()){
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T *bv1tmp = FoldFingerprint(bv1,bv1.GetNumBits()/bv2.GetNumBits());
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res = metric(*bv1tmp,bv2);
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delete bv1tmp;
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} else if(bv2.GetNumBits()>bv1.GetNumBits()){
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T *bv2tmp = FoldFingerprint(bv2,bv2.GetNumBits()/bv1.GetNumBits());
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res = metric(bv1,*bv2tmp);
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delete bv2tmp;
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} else {
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res = metric(bv1,bv2);
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}
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return res;
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}
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template <typename T>
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double TanimotoSimilarity_w(const T &bv1,const std::string &pkl){
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return SimilarityWrapper(bv1,pkl,
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(const double (*)(const T&,const T&))TanimotoSimilarity);
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}
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template <typename T>
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double CosineSimilarity_w(const T &bv1,const std::string &pkl){
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return SimilarityWrapper(bv1,pkl,
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(const double (*)(const T&,const T&))CosineSimilarity);
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}
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template <typename T>
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double KulczynskiSimilarity_w(const T &bv1,const std::string &pkl){
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return SimilarityWrapper(bv1,pkl,
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(const double (*)(const T&,const T&))KulczynskiSimilarity);
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}
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template <typename T>
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double DiceSimilarity_w(const T &bv1,const std::string &pkl){
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return SimilarityWrapper(bv1,pkl,
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(const double (*)(const T&,const T&))DiceSimilarity);
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}
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template <typename T>
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double SokalSimilarity_w(const T &bv1,const std::string &pkl){
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return SimilarityWrapper(bv1,pkl,
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(const double (*)(const T&,const T&))SokalSimilarity);
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}
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template <typename T>
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double McConnaugheySimilarity_w(const T &bv1,const std::string &pkl){
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return SimilarityWrapper(bv1,pkl,
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(const double (*)(const T&,const T&))McConnaugheySimilarity);
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}
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template <typename T>
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double AsymmetricSimilarity_w(const T &bv1,const std::string &pkl){
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return SimilarityWrapper(bv1,pkl,
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(const double (*)(const T&,const T&))AsymmetricSimilarity);
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}
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template <typename T>
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double BraunBlanquetSimilarity_w(const T &bv1,const std::string &pkl){
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return SimilarityWrapper(bv1,pkl,
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(const double (*)(const T&,const T&))BraunBlanquetSimilarity);
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}
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template <typename T>
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double RusselSimilarity_w(const T &bv1,const std::string &pkl){
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return SimilarityWrapper(bv1,pkl,
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(const double (*)(const T&,const T&))RusselSimilarity);
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}
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BOOST_PYTHON_FUNCTION_OVERLOADS(sbv_fold_overloads, ff1, 1, 2);
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BOOST_PYTHON_FUNCTION_OVERLOADS(ebv_fold_overloads, ff2, 1, 2);
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#define DBL_DEF(_name_,_fn_,_help_) \
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python::def(_name_,(const double (*)(const SBV &,const SBV &))_fn_); \
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python::def(_name_,(const double (*)(const EBV &,const EBV &))_fn_,_help_);\
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#define BIG_DEF(_name_,_fn_,_fn_w_,_help_) \
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python::def(_name_,(const double (*)(const SBV &,const SBV &))_fn_); \
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python::def(_name_,(const double (*)(const EBV &,const EBV &))_fn_,_help_);\
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python::def(_name_,(double (*)(const SBV &,const std::string &))_fn_w_,_help_);\
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python::def(_name_,(double (*)(const EBV &,const std::string &))_fn_w_,_help_);\
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struct BitOps_wrapper {
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static void wrap(){
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BIG_DEF("TanimotoSimilarity",TanimotoSimilarity,TanimotoSimilarity_w,
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"B(bv1&bv2) / (B(bv1) + B(bv2) - B(bv1&bv2))")
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BIG_DEF("CosineSimilarity",CosineSimilarity,CosineSimilarity_w,
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"B(bv1&bv2) / sqrt(B(bv1) * B(bv2))")
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BIG_DEF("KulczynskiSimilarity",KulczynskiSimilarity,KulczynskiSimilarity_w,
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"B(bv1&bv2)*(B(bv1) + B(bv2)) / (2 * B(bv1) * B(bv2))")
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BIG_DEF("DiceSimilarity",DiceSimilarity,DiceSimilarity_w,
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"2*B(bv1&bv2) / (B(bv1) + B(bv2))")
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BIG_DEF("SokalSimilarity",SokalSimilarity,SokalSimilarity_w,
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"B(bv1&bv2) / (2*B(bv1) + 2*B(bv2) - 3*B(bv1&bv2))")
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BIG_DEF("McConnaugheySimilarity",McConnaugheySimilarity,McConnaugheySimilarity_w,
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"(B(bv1&bv2) * (B(bv1)+B(bv2)) - B(bv1)*B(bv2)) / (B(bv1) * B(bv2))")
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BIG_DEF("AsymmetricSimilarity",AsymmetricSimilarity,AsymmetricSimilarity_w,
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"B(bv1&bv2) / min(B(bv1),B(bv2))")
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BIG_DEF("BraunBlanquetSimilarity",BraunBlanquetSimilarity,BraunBlanquetSimilarity_w,
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"B(bv1&bv2) / max(B(bv1),B(bv2))")
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BIG_DEF("RusselSimilarity",RusselSimilarity,RusselSimilarity_w,
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"B(bv1&bv2) / B(bv1)")
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DBL_DEF("OnBitSimilarity",OnBitSimilarity,
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"B(bv1&bv2) / B(bv1|bv2)")
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DBL_DEF("AllBitSimilarity",AllBitSimilarity,
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"(B(bv1) - B(bv1^bv2)) / B(bv1)")
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python::def("OnBitProjSimilarity",
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(DoubleVect (*)(const SBV&,const SBV&))OnBitProjSimilarity);
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python::def("OnBitProjSimilarity",
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(DoubleVect (*)(const EBV&,const EBV&))OnBitProjSimilarity,
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"Returns a 2-tuple: (B(bv1&bv2) / B(bv1), B(bv1&bv2) / B(bv2))");
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python::def("OffBitProjSimilarity",
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(DoubleVect (*)(const SBV&,const SBV&))OffBitProjSimilarity);
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python::def("OffBitProjSimilarity",
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(DoubleVect (*)(const EBV&,const EBV&))OffBitProjSimilarity);
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python::def("NumBitsInCommon",
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(const int (*)(const SBV&,const SBV&))NumBitsInCommon);
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python::def("NumBitsInCommon",
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(const int (*)(const EBV&,const EBV&))NumBitsInCommon,
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"Returns the total number of bits in common between the two bit vectors\n"
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);
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python::def("OnBitsInCommon",
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(IntVect (*)(const SBV&,const SBV&))OnBitsInCommon);
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python::def("OnBitsInCommon",
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(IntVect (*)(const EBV&,const EBV&))OnBitsInCommon,
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"Returns the number of on bits in common between the two bit vectors\n"
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);
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python::def("OffBitsInCommon",
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(IntVect (*)(const SBV&,const SBV&))OffBitsInCommon);
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python::def("OffBitsInCommon",
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(IntVect (*)(const EBV&,const EBV&))OffBitsInCommon,
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"Returns the number of off bits in common between the two bit vectors\n"
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);
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python::def("FoldFingerprint",
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ff1,
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sbv_fold_overloads(python::args("bv","foldFactor")
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)[python::return_value_policy<python::manage_new_object>()]);
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python::def("FoldFingerprint",
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ff2,
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ebv_fold_overloads(python::args("bv","foldFactor"),
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"Returns a folded version of the bit vector\n"
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)[python::return_value_policy<python::manage_new_object>()]);
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python::def("AllProbeBitsMatch",(bool (*)(const SBV &,const std::string &))AllProbeBitsMatch);
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python::def("AllProbeBitsMatch",(bool (*)(const EBV &,const std::string &))AllProbeBitsMatch);
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python::def("BitVectToText",
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(std::string (*)(const SBV&))BitVectToText);
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python::def("BitVectToText",
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(std::string (*)(const EBV&))BitVectToText,
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"Returns a string of zeros and ones representing the bit vector."
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);
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}
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};
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void wrap_BitOps() {
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BitOps_wrapper::wrap();
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}
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