RDKit
Open-source cheminformatics and machine learning.
RDKit::SparseIntVect< IndexType > Class Template Reference

a class for efficiently storing sparse vectors of ints More...

#include <SparseIntVect.h>

Public Types

typedef std::map< IndexType, int > StorageType
 

Public Member Functions

 SparseIntVect ()
 
 SparseIntVect (IndexType length)
 initialize with a particular length More...
 
 SparseIntVect (const SparseIntVect< IndexType > &other)
 Copy constructor. More...
 
 SparseIntVect (const std::string &pkl)
 constructor from a pickle More...
 
 SparseIntVect (const char *pkl, const unsigned int len)
 constructor from a pickle More...
 
 ~SparseIntVect ()
 destructor (doesn't need to do anything) More...
 
int getVal (IndexType idx) const
 return the value at an index More...
 
void setVal (IndexType idx, int val)
 set the value at an index More...
 
int operator[] (IndexType idx) const
 support indexing using [] More...
 
IndexType getLength () const
 returns the length More...
 
int getTotalVal (bool doAbs=false) const
 
unsigned int size () const
 returns the length More...
 
const StorageTypegetNonzeroElements () const
 returns our nonzero elements as a map(IndexType->int) More...
 
SparseIntVect< IndexType > & operator&= (const SparseIntVect< IndexType > &other)
 
const SparseIntVect< IndexType > operator& (const SparseIntVect< IndexType > &other) const
 
SparseIntVect< IndexType > & operator|= (const SparseIntVect< IndexType > &other)
 
const SparseIntVect< IndexType > operator| (const SparseIntVect< IndexType > &other) const
 
SparseIntVect< IndexType > & operator+= (const SparseIntVect< IndexType > &other)
 
const SparseIntVect< IndexType > operator+ (const SparseIntVect< IndexType > &other) const
 
SparseIntVect< IndexType > & operator-= (const SparseIntVect< IndexType > &other)
 
const SparseIntVect< IndexType > operator- (const SparseIntVect< IndexType > &other) const
 
SparseIntVect< IndexType > & operator*= (int v)
 
SparseIntVect< IndexType > & operator* (int v)
 
SparseIntVect< IndexType > & operator/= (int v)
 
SparseIntVect< IndexType > & operator/ (int v)
 
SparseIntVect< IndexType > & operator+= (int v)
 
SparseIntVect< IndexType > & operator+ (int v)
 
SparseIntVect< IndexType > & operator-= (int v)
 
SparseIntVect< IndexType > & operator- (int v)
 
bool operator== (const SparseIntVect< IndexType > &v2) const
 
bool operator!= (const SparseIntVect< IndexType > &v2) const
 
std::string toString () const
 returns a binary string representation (pickle) More...
 
void fromString (const std::string &txt)
 

Detailed Description

template<typename IndexType>
class RDKit::SparseIntVect< IndexType >

a class for efficiently storing sparse vectors of ints

Definition at line 27 of file SparseIntVect.h.

Member Typedef Documentation

template<typename IndexType>
typedef std::map<IndexType, int> RDKit::SparseIntVect< IndexType >::StorageType

Definition at line 29 of file SparseIntVect.h.

Constructor & Destructor Documentation

template<typename IndexType>
RDKit::SparseIntVect< IndexType >::SparseIntVect ( )
inline

Definition at line 31 of file SparseIntVect.h.

template<typename IndexType>
RDKit::SparseIntVect< IndexType >::SparseIntVect ( IndexType  length)
inline

initialize with a particular length

Definition at line 34 of file SparseIntVect.h.

template<typename IndexType>
RDKit::SparseIntVect< IndexType >::SparseIntVect ( const SparseIntVect< IndexType > &  other)
inline

Copy constructor.

Definition at line 37 of file SparseIntVect.h.

template<typename IndexType>
RDKit::SparseIntVect< IndexType >::SparseIntVect ( const std::string &  pkl)
inline

constructor from a pickle

Definition at line 43 of file SparseIntVect.h.

template<typename IndexType>
RDKit::SparseIntVect< IndexType >::SparseIntVect ( const char *  pkl,
const unsigned int  len 
)
inline

constructor from a pickle

Definition at line 47 of file SparseIntVect.h.

template<typename IndexType>
RDKit::SparseIntVect< IndexType >::~SparseIntVect ( )
inline

destructor (doesn't need to do anything)

Definition at line 52 of file SparseIntVect.h.

Member Function Documentation

template<typename IndexType>
void RDKit::SparseIntVect< IndexType >::fromString ( const std::string &  txt)
inline

Definition at line 345 of file SparseIntVect.h.

References PRECONDITION, and RDKit::streamRead().

template<typename IndexType>
IndexType RDKit::SparseIntVect< IndexType >::getLength ( ) const
inline
template<typename IndexType>
const StorageType& RDKit::SparseIntVect< IndexType >::getNonzeroElements ( ) const
inline

returns our nonzero elements as a map(IndexType->int)

Definition at line 117 of file SparseIntVect.h.

Referenced by RDKit::updateFromSequence().

template<typename IndexType>
int RDKit::SparseIntVect< IndexType >::getTotalVal ( bool  doAbs = false) const
inline

returns the sum of all the elements in the vect the doAbs argument toggles summing the absolute values of the elements

Definition at line 102 of file SparseIntVect.h.

Referenced by RDKit::DiceSimilarity().

template<typename IndexType>
int RDKit::SparseIntVect< IndexType >::getVal ( IndexType  idx) const
inline

return the value at an index

Definition at line 65 of file SparseIntVect.h.

Referenced by RDKit::SparseIntVect< IndexType >::operator[](), and RDKit::updateFromSequence().

template<typename IndexType>
bool RDKit::SparseIntVect< IndexType >::operator!= ( const SparseIntVect< IndexType > &  v2) const
inline

Definition at line 318 of file SparseIntVect.h.

template<typename IndexType>
const SparseIntVect<IndexType> RDKit::SparseIntVect< IndexType >::operator& ( const SparseIntVect< IndexType > &  other) const
inline

Definition at line 152 of file SparseIntVect.h.

template<typename IndexType>
SparseIntVect<IndexType>& RDKit::SparseIntVect< IndexType >::operator&= ( const SparseIntVect< IndexType > &  other)
inline

this is a "fuzzy" intesection, the final value of each element is equal to the minimum from the two vects.

Definition at line 122 of file SparseIntVect.h.

template<typename IndexType>
SparseIntVect<IndexType>& RDKit::SparseIntVect< IndexType >::operator* ( int  v)
inline

Definition at line 271 of file SparseIntVect.h.

template<typename IndexType>
SparseIntVect<IndexType>& RDKit::SparseIntVect< IndexType >::operator*= ( int  v)
inline

Definition at line 263 of file SparseIntVect.h.

template<typename IndexType>
const SparseIntVect<IndexType> RDKit::SparseIntVect< IndexType >::operator+ ( const SparseIntVect< IndexType > &  other) const
inline

Definition at line 224 of file SparseIntVect.h.

template<typename IndexType>
SparseIntVect<IndexType>& RDKit::SparseIntVect< IndexType >::operator+ ( int  v)
inline

Definition at line 295 of file SparseIntVect.h.

template<typename IndexType>
SparseIntVect<IndexType>& RDKit::SparseIntVect< IndexType >::operator+= ( const SparseIntVect< IndexType > &  other)
inline

Definition at line 196 of file SparseIntVect.h.

template<typename IndexType>
SparseIntVect<IndexType>& RDKit::SparseIntVect< IndexType >::operator+= ( int  v)
inline

Definition at line 287 of file SparseIntVect.h.

template<typename IndexType>
const SparseIntVect<IndexType> RDKit::SparseIntVect< IndexType >::operator- ( const SparseIntVect< IndexType > &  other) const
inline

Definition at line 258 of file SparseIntVect.h.

template<typename IndexType>
SparseIntVect<IndexType>& RDKit::SparseIntVect< IndexType >::operator- ( int  v)
inline

Definition at line 307 of file SparseIntVect.h.

template<typename IndexType>
SparseIntVect<IndexType>& RDKit::SparseIntVect< IndexType >::operator-= ( const SparseIntVect< IndexType > &  other)
inline

Definition at line 230 of file SparseIntVect.h.

template<typename IndexType>
SparseIntVect<IndexType>& RDKit::SparseIntVect< IndexType >::operator-= ( int  v)
inline

Definition at line 299 of file SparseIntVect.h.

template<typename IndexType>
SparseIntVect<IndexType>& RDKit::SparseIntVect< IndexType >::operator/ ( int  v)
inline

Definition at line 283 of file SparseIntVect.h.

template<typename IndexType>
SparseIntVect<IndexType>& RDKit::SparseIntVect< IndexType >::operator/= ( int  v)
inline

Definition at line 275 of file SparseIntVect.h.

template<typename IndexType>
bool RDKit::SparseIntVect< IndexType >::operator== ( const SparseIntVect< IndexType > &  v2) const
inline

Definition at line 312 of file SparseIntVect.h.

template<typename IndexType>
int RDKit::SparseIntVect< IndexType >::operator[] ( IndexType  idx) const
inline

support indexing using []

Definition at line 95 of file SparseIntVect.h.

References RDKit::SparseIntVect< IndexType >::getVal().

template<typename IndexType>
const SparseIntVect<IndexType> RDKit::SparseIntVect< IndexType >::operator| ( const SparseIntVect< IndexType > &  other) const
inline

Definition at line 190 of file SparseIntVect.h.

template<typename IndexType>
SparseIntVect<IndexType>& RDKit::SparseIntVect< IndexType >::operator|= ( const SparseIntVect< IndexType > &  other)
inline

this is a "fuzzy" union, the final value of each element is equal to the maximum from the two vects.

Definition at line 161 of file SparseIntVect.h.

template<typename IndexType>
void RDKit::SparseIntVect< IndexType >::setVal ( IndexType  idx,
int  val 
)
inline

set the value at an index

Definition at line 78 of file SparseIntVect.h.

Referenced by RDKit::updateFromSequence().

template<typename IndexType>
unsigned int RDKit::SparseIntVect< IndexType >::size ( ) const
inline

returns the length

Definition at line 114 of file SparseIntVect.h.

References RDKit::SparseIntVect< IndexType >::getLength().

template<typename IndexType>
std::string RDKit::SparseIntVect< IndexType >::toString ( ) const
inline

returns a binary string representation (pickle)

Definition at line 323 of file SparseIntVect.h.

References ci_SPARSEINTVECT_VERSION, and RDKit::streamWrite().


The documentation for this class was generated from the following file: