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Ranking.h
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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
*/
#include <RDGeneral/export.h>
#ifndef RD_RANKING_H
#define RD_RANKING_H
#include <vector>
#include <functional>
#include <algorithm>
#include <cstdint>
namespace Rankers {
inline auto pairGreater = [](const auto &v1, const auto &v2) {
return v1.first > v2.first;
};
//! function for implementing < on two std::pairs. The first entries are
/// compared.
inline auto pairLess = [](const auto &v1, const auto &v2) {
return v1.first < v2.first;
};
//! 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(),
[&](auto i1, auto i2) { return vect[i1] < vect[i2]; });
int currRank = 0;
unsigned int lastIdx = indices[0];
for (auto idx : indices) {
if (vect[idx] == vect[lastIdx]) {
res[idx] = currRank;
} else {
res[idx] = ++currRank;
lastIdx = idx;
}
}
}
} // namespace Rankers
#endif
rdcast
#define rdcast
Definition Invariant.h:191
PRECONDITION
#define PRECONDITION(expr, mess)
Definition Invariant.h:108
export.h
Rankers
Utility functionality used to rank sequences.
Definition Ranking.h:26
Rankers::pairGreater
auto pairGreater
Definition Ranking.h:27
Rankers::rankVect
void rankVect(const std::vector< T1 > &vect, T2 &res)
ranks the entries in a vector
Definition Ranking.h:43
Rankers::pairLess
auto pairLess
Definition Ranking.h:33