Loading...
Searching...
No Matches
PartitionSet.h
Go to the documentation of this file.
//
// Copyright (C) David Cosgrove 2023
//
// @@ 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.
//
#ifndef RASCALMCES_PARTITION_SET_H
#define RASCALMCES_PARTITION_SET_H
#include <map>
#include <vector>
#include <RDGeneral/BoostStartInclude.h>
#include <boost/dynamic_bitset.hpp>
#include <RDGeneral/BoostEndInclude.h>
namespace RDKit {
namespace RascalMCES {
class PartitionSet {
public:
// Make a partition set from the modular product and the labels
// of the vertices from the first graph. Each element in vtxPairs
// has a row/column in modProd. The partitions are sorted
// into descending order of sizes.
PartitionSet(const std::vector<boost::dynamic_bitset<>> &modProd,
const std::vector<std::pair<int, int>> &vtxPairs,
const std::vector<unsigned int> &vtx1Labels,
const std::vector<unsigned int> &vtx2Labels,
unsigned int lowerBound);
bool isEmpty() const { return d_parts.empty(); }
size_t numParts() const { return d_parts.size(); }
// Compute the upper bound on the clique that can be extracted from
// the current partition.
int upperBound();
friend std::ostream &operator<<(std::ostream &os, const PartitionSet &pt);
// removes the last element of the last partition and returns
// its value. Throws a runtime_error if empty.
unsigned int popLastVertex();
// remove from the partitions any vertex not connected to the given
// vertex
void pruneVertices(unsigned int vtx_num);
private:
std::shared_ptr<const std::vector<boost::dynamic_bitset<>>> d_ModProd;
std::shared_ptr<const std::vector<std::pair<int, int>>> d_VtxPairs;
std::shared_ptr<const std::vector<unsigned int>> d_vtx1Labels;
std::shared_ptr<const std::vector<unsigned int>> d_vtx2Labels;
std::vector<std::vector<unsigned int>> d_parts;
// counts of the number of times each vertex appears in the partitions
std::vector<int> d_vtx1Counts, d_vtx2Counts;
// counts of the number of times the d_vtx[12]_labels appear in the partitions
std::vector<int> d_vtx1TypeCounts, d_vtx2TypeCounts;
void sortPartitions();
void calcVtxTypeCounts();
void decrementVertexCounts(int vtxNum);
};
} // namespace RascalMCES
} // namespace RDKit
#endif // RASCALMCES_PARTITION_SET_H
BoostEndInclude.h
BoostStartInclude.h
RDKit::RascalMCES::PartitionSet::popLastVertex
unsigned int popLastVertex()
RDKit::RascalMCES::PartitionSet::PartitionSet
PartitionSet(const std::vector< boost::dynamic_bitset<> > &modProd, const std::vector< std::pair< int, int > > &vtxPairs, const std::vector< unsigned int > &vtx1Labels, const std::vector< unsigned int > &vtx2Labels, unsigned int lowerBound)
RDKit::RascalMCES::PartitionSet::numParts
size_t numParts() const
Definition PartitionSet.h:39
RDKit::RascalMCES::PartitionSet::isEmpty
bool isEmpty() const
Definition PartitionSet.h:37
RDKit::RascalMCES::PartitionSet::pruneVertices
void pruneVertices(unsigned int vtx_num)
RDKit::RascalMCES::PartitionSet::upperBound
int upperBound()
RDKit::RascalMCES::PartitionSet::operator<<
friend std::ostream & operator<<(std::ostream &os, const PartitionSet &pt)
RDKit::RascalMCES
Definition PartitionSet.h:23
RDKit
Std stuff.
Definition Abbreviations.h:19