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add support for generating FPS-style hex strings

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This commit is contained in:
Greg Landrum
2011-12-18 14:20:00 +00:00
parent c0f07b6f10
commit a574c1f017
4 changed files with 69 additions and 1 deletions
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28
Code/DataStructs/BitOps.cpp
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@@ -16,6 +16,10 @@
#include <iostream>
#include <RDGeneral/StreamOps.h>
#include <RDGeneral/types.h>
#include <sstream>
#include <boost/spirit/include/qi.hpp>
#include <boost/spirit/include/karma.hpp>
int getBitId(const char *&text,int format,int size,int curr){
PRECONDITION(text,"no text");
@@ -646,6 +650,27 @@ BitVectToText(const T1& bv1){
return res;
}
const char bin2Hex[] = {'0','1','2','3','4','5','6','7','8','9','a','b','c','d','e','f'};
template <typename T1>
std::string
BitVectToFPSText(const T1& bv1){
std::stringstream res;
unsigned char c=0;
for(unsigned int i=0;i<bv1.getNumBits();i++){
if(bv1.getBit(i)) {
c |= 1<<(i%8);
}
if(!((i+1)%8)){
res<<bin2Hex[(c>>4)%16]<<bin2Hex[c%16];
c=0;
}
}
if(bv1.getNumBits()%8){
res<<bin2Hex[(c>>4)%16]<<bin2Hex[c%16];
}
return res.str();
}
template double TanimotoSimilarity(const SparseBitVect& bv1,const SparseBitVect& bv2);
@@ -691,6 +716,9 @@ template ExplicitBitVect *FoldFingerprint(const ExplicitBitVect &,unsigned int);
template std::string BitVectToText(const SparseBitVect &);
template std::string BitVectToText(const ExplicitBitVect &);
template std::string BitVectToFPSText(const SparseBitVect &);
template std::string BitVectToFPSText(const ExplicitBitVect &);