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RDKit
Open-source cheminformatics and machine learning.
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12 #ifndef _RD_INFORANKER_H_
13 #define _RD_INFORANKER_H_
113 : d_dims(nBits), d_classes(nClasses), d_type(infoType) {
115 for (
unsigned int i = 0; i < nClasses; i++) {
117 cCount.resize(d_dims, 0);
118 d_counts.push_back(cCount);
120 d_clsCount.resize(d_classes, 0);
124 d_biasList.resize(0);
129 if (dp_topBits)
delete[] dp_topBits;
130 if (dp_maskBits)
delete dp_maskBits;
142 void accumulateVotes(
const SparseBitVect &bv,
unsigned int label);
154 double *getTopN(
unsigned int num);
196 void writeTopBitsToStream(std::ostream *outStream)
const;
201 void writeTopBitsToFile(
const std::string &fileName)
const;
260 unsigned int d_classes;
270 unsigned int d_nInst;
#define RDKIT_INFOTHEORY_EXPORT
std::vector< int > INT_VECT
std::vector< USHORT_VECT > VECT_USHORT_VECT
std::vector< RDKit::USHORT > USHORT_VECT
a class for bit vectors that are sparsely occupied.
InfoBitRanker(unsigned int nBits, unsigned int nClasses, InfoType infoType=InfoBitRanker::ENTROPY)
Constructor.
Class used to rank bits based on a specified measure of infomation.
Pulls in all the BitVect classes.
unsigned int getNumInstances() const
return the number of labelled instances(examples) or fingerprints seen so far
unsigned int getNumClasses() const
return the number of classes
InfoType
the type of measure for information
a class for bit vectors that are densely occupied