ls1-MarDyn
ls1-MarDyn molecular dynamics code
Public Member Functions | List of all members
SampleRegion Class Reference
Inheritance diagram for SampleRegion:
CuboidRegionObs CuboidRegion ObserverBase Region

Public Member Functions

 SampleRegion (RegionSampling *parent, double dLowerCorner[3], double dUpperCorner[3])
 
void readXML (XMLfileUnits &xmlconfig)
 
void setParamProfiles (unsigned long initSamplingProfiles, unsigned long writeFrequencyProfiles, unsigned long stopSamplingProfiles)
 
void setParamProfiles ()
 
void setSubdivisionProfiles (const unsigned int &nNumSlabs)
 
void setSubdivisionProfiles (const double &dSlabWidth)
 
void setSubdivisionVDF (const unsigned int &nNumSlabs)
 
void setSubdivisionVDF (const double &dSlabWidth)
 
void prepareSubdivisionProfiles ()
 
void prepareSubdivisionVDF ()
 
void prepareSubdivisionFieldYR ()
 
void initSamplingProfiles (int nDimension)
 
void initSamplingVDF (int nDimension)
 
void initSamplingFieldYR (int nDimension)
 
void doDiscretisationProfiles (int nDimension)
 
void doDiscretisationVDF (int nDimension)
 
void doDiscretisationFieldYR (int nDimension)
 
void sampleProfiles (Molecule *molecule, int nDimension)
 
void sampleVDF (Molecule *molecule, int nDimension)
 
void sampleFieldYR (Molecule *molecule)
 
void calcGlobalValuesProfiles (DomainDecompBase *domainDecomp, Domain *domain)
 
void calcGlobalValuesVDF ()
 
void calcGlobalValuesFieldYR (DomainDecompBase *domainDecomp, Domain *domain)
 
void writeDataProfiles (DomainDecompBase *domainDecomp, unsigned long simstep, Domain *domain)
 
void writeDataVDF (DomainDecompBase *domainDecomp, unsigned long simstep)
 
void writeDataFieldYR (DomainDecompBase *domainDecomp, unsigned long simstep, Domain *domain)
 
void updateSlabParameters ()
 
- Public Member Functions inherited from CuboidRegionObs
 CuboidRegionObs (ControlInstance *parent)
 
 CuboidRegionObs (ControlInstance *parent, double dLC[3], double dUC[3])
 
void update (SubjectBase *subject) override
 
void PrepareAsObserver (const std::vector< uint32_t > &refCoords)
 
- Public Member Functions inherited from CuboidRegion
 CuboidRegion (ControlInstance *parent)
 
 CuboidRegion (ControlInstance *parent, double dLC[3], double dUC[3])
 
double GetLowerCorner (const uint16_t &nDim)
 
double GetUpperCorner (const uint16_t &nDim)
 
void GetLowerCorner (double *dLC)
 
void GetUpperCorner (double *dUC)
 
double * GetLowerCorner ()
 
double * GetUpperCorner ()
 
void SetLowerCorner (const uint16_t &nDim, const double &dVal)
 
void SetUpperCorner (const uint16_t &nDim, const double &dVal)
 
double GetWidth (const uint16_t &nDim)
 
void GetRange (const uint16_t &nDim, double &dRangeBegin, double &dRangeEnd)
 
bool PositionIsInside (const uint16_t &nDim, const double &dPos)
 
bool PositionIsInside (double *dPos)
 
virtual void Print (std::ostream &os)
 
double GetVolume ()
 
- Public Member Functions inherited from Region
unsigned short GetID ()
 
int GetType ()
 
ControlInstanceGetParent ()
 

Additional Inherited Members

- Protected Member Functions inherited from Region
 Region (ControlInstance *parent)
 
- Protected Attributes inherited from CuboidRegion
std::array< double, 3 > _dLowerCorner
 
std::array< double, 3 > _dUpperCorner
 
int _nSubdivisionOpt
 
- Protected Attributes inherited from Region
ControlInstance_parent
 
unsigned short _nID
 

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