ls1-MarDyn
ls1-MarDyn molecular dynamics code
RDFCellProcessor.h
1/*
2 * RDFCellProcessor.h
3 *
4 * @Date: 19.02.18
5 * @Author: tchipevn
6 */
7
8#ifndef RDFCELLPROCESSOR_H_
9#define RDFCELLPROCESSOR_H_
10
11#include "particleContainer/adapter/CellProcessor.h"
12#include "particleContainer/ParticleCellForwardDeclaration.h"
13
14class RDF;
15
17
18private:
19 RDF* const _rdf;
20
21public:
22 RDFCellProcessor& operator=(const RDFCellProcessor&) = delete;
23
24 RDFCellProcessor(const double cutoffRadius, RDF* rdf) :
25 CellProcessor(cutoffRadius, cutoffRadius), _rdf(rdf) {
26 }
27
29
30 void initTraversal() {}
31
32 void preprocessCell(ParticleCell& /*cell*/) {}
33
34 void processCellPair(ParticleCell& cell1, ParticleCell& cell2, bool sumAll = false);
35
36 double processSingleMolecule(Molecule* /* m1 */, ParticleCell& /*cell2*/) { return 0.0;}
37
38 void processCell(ParticleCell& cell);
39
40 void postprocessCell(ParticleCell& /*cell*/) {}
41
42 void endTraversal() {}
43};
44
45#endif /* RDFCELLPROCESSOR_H_ */
Definition: CellProcessor.h:29
FullMolecule modeled as LJ sphere with point polarities.
Definition: FullMolecule.h:18
FullParticleCell data structure. Renamed from ParticleCell.
Definition: FullParticleCell.h:49
Definition: RDFCellProcessor.h:16
void initTraversal()
Definition: RDFCellProcessor.h:30
void postprocessCell(ParticleCell &)
Definition: RDFCellProcessor.h:40
void preprocessCell(ParticleCell &)
Definition: RDFCellProcessor.h:32
void processCellPair(ParticleCell &cell1, ParticleCell &cell2, bool sumAll=false)
Definition: RDFCellProcessor.cpp:49
void processCell(ParticleCell &cell)
Definition: RDFCellProcessor.cpp:18
void endTraversal()
Definition: RDFCellProcessor.h:42
This class calculates the Radial Distribution Function (RDF).
Definition: RDF.h:37