/usr/include/rdkit/RDGeneral/Ranking.h is in librdkit-dev 201503-3.
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// Copyright (C) 2004-2015 Greg Landrum and 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.
//
//! \file Ranking.h
/*!
\brief Utility functionality used to rank sequences
Much of this used to be in GraphMol/RankAtoms.h
*/
#ifndef RD_RANKING_H
#define RD_RANKING_H
#include <vector>
#include <algorithm>
#include <boost/foreach.hpp>
#include <boost/cstdint.hpp>
namespace Rankers {
//! functor for implementing > on two std::pairs. The first entries are compared.
template <typename T1, typename T2>
struct pairGreater : public std::binary_function<std::pair<T1,T2>,std::pair<T1,T2>,bool> {
bool operator() (const std::pair<T1,T2> &v1,const std::pair<T1,T2> &v2) const {
return v1.first > v2.first;
}
};
//! function for implementing < on two std::pairs. The first entries are compared.
template <typename T1, typename T2>
struct pairLess : public std::binary_function<std::pair<T1,T2>,std::pair<T1,T2>,bool> {
bool operator() (const std::pair<T1,T2> &v1,const std::pair<T1,T2> &v2) const {
return v1.first < v2.first;
}
};
template <typename T>
class argless : public std::binary_function<T,T,bool> {
public:
argless(const T& c) : std::binary_function<T,T,bool>(), container(c) {};
bool operator() (unsigned int v1,unsigned int v2) const {
return container[v1]<container[v2];
}
const T &container;
};
//! ranks the entries in a vector
/*!
\param vect the vector to rank
\param res is used to return the ranks of each entry
*/
template <typename T1,typename T2>
void rankVect(const std::vector<T1> &vect,T2 &res){
PRECONDITION(res.size()>=vect.size(),"vector size mismatch");
unsigned int nEntries = vect.size();
std::vector< unsigned int > indices(nEntries);
for(unsigned int i=0;i<nEntries;++i) indices[i]=i;
std::sort(indices.begin(),indices.end(),argless< std::vector<T1> >(vect) );
int currRank=0;
T1 lastV = vect[indices[0]];
BOOST_FOREACH(unsigned int idx,indices){
T1 v = vect[idx];
if(v==lastV){
res[idx] = currRank;
} else {
res[idx] = ++currRank;
lastV = v;
}
}
}
}
#endif
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