/usr/include/rdkit/RDGeneral/Ranking.h is in librdkit-dev 201603.5+dfsg-1ubuntu1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 | //
// 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 = rdcast<unsigned int>(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
|