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Open-source cheminformatics and machine learning.
RankAtoms.h File Reference
#include <queue>
#include <vector>
#include <list>
#include <algorithm>
#include <boost/foreach.hpp>

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Classes

struct  RankAtoms::pairGTFunctor< T >
 functor for implementing > on two std::pairs. The first entries are compared. More...
class  RankAtoms::argless< T >

Namespaces

namespace  RankAtoms
 

Utility functionality used by atom rankers.


Typedefs

typedef std::vector< int > RankAtoms::INT_VECT
typedef std::list< int > RankAtoms::INT_LIST

Functions

void RankAtoms::updateInPlayIndices (const INT_VECT &ranks, INT_LIST &indicesInPlay)
 utility function for ranking atoms
template<typename T >
unsigned int RankAtoms::countClasses (const std::vector< T > &vect)
 returns the count of unique items in an std::vector
template<typename T >
bool RankAtoms::pairLess (const std::pair< T, int > &v1, const std::pair< T, int > &v2)
 function for implementing < on two std::pairs. The first entries are compared.
template<typename T >
void RankAtoms::rankVect (const std::vector< T > &vect, INT_VECT &res)
 ranks the entries in a vector
template<typename T >
void RankAtoms::sortAndRankVect (unsigned int nAtoms, const std::vector< T > &vals, const INT_LIST &indicesInPlay, INT_VECT &ranks)
 finds the relative rankings of the entries in vals.
template<typename T >
void RankAtoms::sortAndRankVect2 (const std::vector< std::vector< T > > &vals, const INT_LIST &indicesInPlay, INT_VECT &ranks)

Detailed Description

Definition in file RankAtoms.h.

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