ls1-MarDyn
ls1-MarDyn molecular dynamics code
XyzWriter.h
1#ifndef SRC_IO_XYZWRITER_H_
2#define SRC_IO_XYZWRITER_H_
3
4#include <string>
5
6#include "plugins/PluginBase.h"
7
14class XyzWriter : public PluginBase {
15public:
16 XyzWriter() = default;
17 ~~XyzWriter() override = default;
18
31 void readXML(XMLfileUnits& xmlconfig) override;
32
33 void init(ParticleContainer *particleContainer,
34 DomainDecompBase *domainDecomp, Domain *domain) override;
35
36 void endStep(
37 ParticleContainer *particleContainer,
38 DomainDecompBase *domainDecomp, Domain *domain,
39 unsigned long simstep
40 ) override;
41
42 void finish(ParticleContainer *particleContainer,
43 DomainDecompBase *domainDecomp, Domain *domain) override;
44
46 return std::string("XyzWriter");
47 }
48
49 static PluginBase* createInstance() { return new XyzWriter(); }
50private:
51 std::string _outputPrefix;
52 unsigned long _writeFrequency {0ul};
53 bool _appendTimestamp {false};
54 bool _incremental {false};
55};
56
57#endif // SRC_IO_XYZWRITER_H_
handle boundary region and multiple processes
Definition: DomainDecompBase.h:51
This class is used to read in the phasespace and to handle macroscopic values.
Definition: Domain.h:47
This Interface is used to get access to particles and pairs of particles.
Definition: ParticleContainer.h:69
The PluginBase class provides the interface for any kind of output/plugin classes - called "(output) ...
Definition: PluginBase.h:47
XML file with unit attributes abstraction.
Definition: xmlfileUnits.h:25
Writes out an ASCII file in the *.xyz-format containing coordinates of each molecule.
Definition: XyzWriter.h:14
std::string getPluginName() override
return the name of the plugin
Definition: XyzWriter.h:45
void endStep(ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, Domain *domain, unsigned long simstep) override
Method endStep will be called at the end of each time step.
Definition: XyzWriter.cpp:37
void init(ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, Domain *domain) override
Method init will be called at the begin of the simulation.
Definition: XyzWriter.cpp:34
void readXML(XMLfileUnits &xmlconfig) override
Read in XML configuration for DecompWriter.
Definition: XyzWriter.cpp:18
void finish(ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, Domain *domain) override
Method finish will be called at the end of the simulation.
Definition: XyzWriter.cpp:110
::xsd::cxx::tree::string< char, simple_type > string
C++ type corresponding to the string XML Schema built-in type.
Definition: vtk-punstructured.h:270