subDomain Class Reference

#include <subDomain.h>

List of all members.


Detailed Description

Definition at line 28 of file subDomain.h.

Public Member Functions

template<class TYPEOFSYSTEM>
bool addAtomsFromSubdomainInOverlapAndCut (const int &localOverlapSubDomain, subDomain &domain, const TYPEOFSYSTEM &atoms, const double &R_overlap, const double &R_cut, bool use_frag)
void addAtomsInKernel (const setOfAtoms &atoms, bool use_frag)
void addIndexInCut (const int &a, const int i)
void addIndexInKernel (const int localNum, const int globalNum)
void addIndexInKernel (const int i)
void addIndexInOverlap (const int &a, const int i)
void addNeigboors (const int num)
template<class TYPEOFSYSTEM>
void buildLocalNumerotation (const TYPEOFSYSTEM &atoms, std::vector< AtomIn > *atomsInZone)
void computeNumberOfAtoms ()
std::vector< int > & getAtomsIndexInCut (const int i)
std::vector< int > & getAtomsIndexInKernel ()
std::vector< int > & getAtomsIndexInOverlap (const int i)
std::vector< int > & getAtomsIsInKernel ()
void getCentre (double *C) const
void getLength (double *x)
int * getLocalNum ()
int getLocalNumberOfSundomain (const int num) const
std::vector< int > & getNeighboorsIndex ()
int getNumberOfAtoms () const
int getNumberOfAtomsInCut (const int num) const
int getNumberOfAtomsInCut () const
int getNumberOfAtomsInKernel () const
int getNumberOfAtomsInOverlap (const int num) const
int getNumberOfAtomsInOverlap () const
int getNumberOfNeighbor (const int i) const
int getNumberOfNeighbors () const
double getVolume () const
double getXLength () const
void getXmax (double *x)
double & getXmax (const int i)
double getXmax (const int i) const
void getXmin (double *x)
double getXmin (const int i) const
double getYLength () const
double getZLength () const
bool initNumberOfOverlapDomain (const int &)
bool initNumberOfOverlapDomain ()
int load () const
int & loadInCut ()
int loadInCut () const
int & loadInKernel ()
int loadInKernel () const
int & loadInOverlap ()
int loadInOverlap () const
int & myNumber ()
int myNumber () const
int numberOfAtomsInKernel ()
void removeNeigboors (std::vector< int > &list)
void resetData ()
void setMyNumber (int num)
void setMyNumber (int num, const int nx, const int ny, const int nz)
void setNumberOfNeighbor (const int i, const int n)
void setXmax (const double *x)
void setXmin (const double *x)
void setXmin (const double &x)
 subDomain ()
 ~subDomain ()

Protected Attributes

std::vector< int > _atomIsInKernel
std::vector< int > * _indexInCut
std::vector< int > _indexInKernel
std::vector< int > * _indexInOverlap
std::vector< int > _indexOfNeighbors
double _length [3]
int _localNum [3]
int _myNum
int _numberOfAtoms
int _numberOfAtomsCut
int _numberOfAtomsKernel
int _numberOfAtomsOverlap
int _weight [numberOfZone]
double _xmax [3]
double _xmin [3]


Constructor & Destructor Documentation

subDomain::subDomain  ) 
 

Definition at line 25 of file subDomain.cpp.

References _localNum, _weight, _xmax, _xmin, Core_Zone, Cut_Zone, and Overlap_Zone.

subDomain::~subDomain  ) 
 

Definition at line 42 of file subDomain.cpp.

References _indexInCut, and _indexInOverlap.


Member Function Documentation

template<class TYPEOFSYSTEM>
bool subDomain::addAtomsFromSubdomainInOverlapAndCut const int &  localOverlapSubDomain,
subDomain domain,
const TYPEOFSYSTEM &  atoms,
const double &  R_overlap,
const double &  R_cut,
bool  use_frag
 

Definition at line 124 of file subDomain.cpp.

References _atomIsInKernel, AtomIn::_localNum, _localNum, _myNum, AtomIn::_numDomain, AtomIn::_typeZone, _xmax, _xmin, addIndexInCut(), addIndexInOverlap(), Cut_Zone, getAtomsIndexInKernel(), getAtomsIsInKernel(), getLocalNum(), getLocalNumberOfSundomain(), myNumber(), and Overlap_Zone.

Referenced by BoxPartition::setAtomsInOverlapAndCut().

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void subDomain::addAtomsInKernel const setOfAtoms atoms,
bool  use_frag
 

void subDomain::addIndexInCut const int &  a,
const int  i
[inline]
 

Definition at line 169 of file subDomain.h.

References _indexInCut, _numberOfAtoms, and _numberOfAtomsCut.

Referenced by addAtomsFromSubdomainInOverlapAndCut(), and PartitionBase< TYPEOFATOMS >::newReadFromFile().

void subDomain::addIndexInKernel const int  localNum,
const int  globalNum
[inline]
 

Definition at line 134 of file subDomain.h.

References _indexInKernel, _numberOfAtoms, and _numberOfAtomsKernel.

void subDomain::addIndexInKernel const int  i  )  [inline]
 

Definition at line 132 of file subDomain.h.

References _indexInKernel, _numberOfAtoms, and _numberOfAtomsKernel.

Referenced by PartitionBase< TYPEOFATOMS >::newReadFromFile(), PartitionBase< TYPEOFATOMS >::oldReadFromFile(), and BoxPartition::setAtomsInKernel().

void subDomain::addIndexInOverlap const int &  a,
const int  i
[inline]
 

Definition at line 157 of file subDomain.h.

References _indexInOverlap, _numberOfAtoms, and _numberOfAtomsOverlap.

Referenced by addAtomsFromSubdomainInOverlapAndCut(), and PartitionBase< TYPEOFATOMS >::newReadFromFile().

void subDomain::addNeigboors const int  num  )  [inline]
 

Definition at line 68 of file subDomain.h.

References _indexOfNeighbors.

Referenced by BoxPartition::setNeigboors(), and AAPartition::setNeigboors().

template<class TYPEOFSYSTEM>
void subDomain::buildLocalNumerotation const TYPEOFSYSTEM &  atoms,
std::vector< AtomIn > *  atomsInZone
 

Definition at line 296 of file subDomain.cpp.

References _indexInCut, _indexInKernel, _indexInOverlap, _indexOfNeighbors, AtomIn::_localNum, _myNum, _numberOfAtoms, _numberOfAtomsOverlap, AtomIn::_numDomain, AtomIn::_typeZone, Core_Zone, Cut_Zone, Overlap_Zone, and setLocalNum().

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void subDomain::computeNumberOfAtoms  ) 
 

Definition at line 270 of file subDomain.cpp.

References _indexInCut, _indexInKernel, _indexInOverlap, _indexOfNeighbors, _myNum, _numberOfAtoms, _numberOfAtomsCut, _numberOfAtomsKernel, and _numberOfAtomsOverlap.

Referenced by BoxPartition::partitionate(), and AAPartition::partitionate().

std::vector<int>& subDomain::getAtomsIndexInCut const int  i  )  [inline]
 

Definition at line 172 of file subDomain.h.

References _indexInCut.

Referenced by PartitionBase< TYPEOFATOMS >::buildAtomsInZone(), PartitionBase< TYPEOFATOMS >::getAtomsIndexInPartition(), PartitionBase< TYPEOFATOMS >::newWriteInFile(), PartitionBase< TYPEOFATOMS >::newWriteInFileOld(), PartitionBase< TYPEOFATOMS >::setAtomsInOverlapAndCut(), and PartitionBase< TYPEOFATOMS >::setLoad().

std::vector<int>& subDomain::getAtomsIndexInKernel  )  [inline]
 

Definition at line 140 of file subDomain.h.

References _indexInKernel.

Referenced by addAtomsFromSubdomainInOverlapAndCut(), PartitionBase< TYPEOFATOMS >::buildAtomsInZone(), PartitionBase< TYPEOFATOMS >::getAtomsIndexInPartition(), PartitionBase< TYPEOFATOMS >::newWriteInFile(), PartitionBase< TYPEOFATOMS >::newWriteInFileOld(), BoxPartition::setAtomsInKernel(), AAPartition::setAtomsInKernel(), PartitionBase< TYPEOFATOMS >::setAtomsInOverlapAndCut(), PartitionBase< TYPEOFATOMS >::setLoad(), AAPartition::setNeigboors(), and PartitionBase< TYPEOFATOMS >::writeInVTKFormat().

std::vector<int>& subDomain::getAtomsIndexInOverlap const int  i  )  [inline]
 

Definition at line 160 of file subDomain.h.

References _indexInOverlap.

Referenced by PartitionBase< TYPEOFATOMS >::buildAtomsInZone(), PartitionBase< TYPEOFATOMS >::getAtomsIndexInPartition(), PartitionBase< TYPEOFATOMS >::newWriteInFile(), PartitionBase< TYPEOFATOMS >::newWriteInFileOld(), PartitionBase< TYPEOFATOMS >::setAtomsInOverlapAndCut(), PartitionBase< TYPEOFATOMS >::setLoad(), and PartitionBase< TYPEOFATOMS >::writeInVTKFormat().

std::vector<int>& subDomain::getAtomsIsInKernel  )  [inline]
 

Definition at line 143 of file subDomain.h.

References _atomIsInKernel.

Referenced by addAtomsFromSubdomainInOverlapAndCut(), and BoxPartition::setAtomsInKernel().

void subDomain::getCentre double *  C  )  const [inline]
 

Definition at line 127 of file subDomain.h.

References _xmax, and _xmin.

Referenced by AAPartition::setNeigboors().

void subDomain::getLength double *  x  )  [inline]
 

Definition at line 112 of file subDomain.h.

References _xmax, and _xmin.

Referenced by BoxPartition::setAtomsInKernel().

int* subDomain::getLocalNum void   )  [inline]
 

Definition at line 46 of file subDomain.h.

References _localNum.

Referenced by addAtomsFromSubdomainInOverlapAndCut().

int subDomain::getLocalNumberOfSundomain const int  num  )  const [inline]
 

Definition at line 58 of file subDomain.h.

References _indexOfNeighbors.

Referenced by addAtomsFromSubdomainInOverlapAndCut().

std::vector<int>& subDomain::getNeighboorsIndex  )  [inline]
 

Definition at line 71 of file subDomain.h.

References _indexOfNeighbors.

int subDomain::getNumberOfAtoms  )  const [inline]
 

Definition at line 49 of file subDomain.h.

References _numberOfAtoms.

Referenced by PartitionBase< TYPEOFATOMS >::getAtomsIndexInPartition(), and PartitionBase< TYPEOFATOMS >::writeInFile().

int subDomain::getNumberOfAtomsInCut const int  num  )  const [inline]
 

Definition at line 86 of file subDomain.h.

References _indexInCut.

int subDomain::getNumberOfAtomsInCut  )  const [inline]
 

Definition at line 83 of file subDomain.h.

References _numberOfAtomsCut.

int subDomain::getNumberOfAtomsInKernel  )  const [inline]
 

Definition at line 74 of file subDomain.h.

References _numberOfAtomsKernel.

int subDomain::getNumberOfAtomsInOverlap const int  num  )  const [inline]
 

Definition at line 80 of file subDomain.h.

References _indexInOverlap.

int subDomain::getNumberOfAtomsInOverlap  )  const [inline]
 

Definition at line 77 of file subDomain.h.

References _numberOfAtomsOverlap.

int subDomain::getNumberOfNeighbor const int  i  )  const [inline]
 

Definition at line 55 of file subDomain.h.

References _indexOfNeighbors.

Referenced by PartitionBase< TYPEOFATOMS >::newWriteInFile(), PartitionBase< TYPEOFATOMS >::setAtomsInOverlapAndCut(), BoxPartition::setAtomsInOverlapAndCut(), and PartitionBase< TYPEOFATOMS >::writeInVTKFormat().

int subDomain::getNumberOfNeighbors  )  const [inline]
 

Definition at line 52 of file subDomain.h.

References _indexOfNeighbors.

Referenced by BoxPartition::computeBoxEquilibrateCharge(), and PartitionBase< TYPEOFATOMS >::newWriteInFile().

double subDomain::getVolume  )  const [inline]
 

Definition at line 124 of file subDomain.h.

References _xmax, and _xmin.

double subDomain::getXLength void   )  const [inline]
 

Definition at line 115 of file subDomain.h.

References _xmax, and _xmin.

Referenced by BoxPartition::computeBoxEquilibrateCharge(), and BoxPartition::partitionate().

void subDomain::getXmax double *  x  )  [inline]
 

Definition at line 109 of file subDomain.h.

References _xmax.

double& subDomain::getXmax const int  i  )  [inline]
 

Definition at line 100 of file subDomain.h.

References _xmax.

double subDomain::getXmax const int  i  )  const [inline]
 

Definition at line 94 of file subDomain.h.

References _xmax.

Referenced by BoxPartition::computeBoxEquilibrateCharge().

void subDomain::getXmin double *  x  )  [inline]
 

Definition at line 106 of file subDomain.h.

References _xmin.

double subDomain::getXmin const int  i  )  const [inline]
 

Definition at line 97 of file subDomain.h.

References _xmin.

Referenced by BoxPartition::computeBoxEquilibrateCharge(), and BoxPartition::setAtomsInKernel().

double subDomain::getYLength  )  const [inline]
 

Definition at line 118 of file subDomain.h.

References _xmax, and _xmin.

Referenced by BoxPartition::partitionate().

double subDomain::getZLength  )  const [inline]
 

Definition at line 121 of file subDomain.h.

References _xmax, and _xmin.

Referenced by BoxPartition::partitionate().

bool subDomain::initNumberOfOverlapDomain const int &   ) 
 

Definition at line 87 of file subDomain.cpp.

References _indexInCut, _indexInOverlap, and _indexOfNeighbors.

bool subDomain::initNumberOfOverlapDomain  ) 
 

Definition at line 64 of file subDomain.cpp.

References _indexInCut, _indexInOverlap, and _indexOfNeighbors.

Referenced by PartitionBase< TYPEOFATOMS >::newReadFromFile(), PartitionBase< TYPEOFATOMS >::oldReadFromFile(), BoxPartition::setNeigboors(), and AAPartition::setNeigboors().

int subDomain::load  )  const [inline]
 

Definition at line 146 of file subDomain.h.

References _weight, Core_Zone, Cut_Zone, and Overlap_Zone.

Referenced by BoxPartition::computeBoxEquilibrateCharge(), and AAPartition::statistiques().

int& subDomain::loadInCut  )  [inline]
 

Definition at line 178 of file subDomain.h.

References _weight, and Cut_Zone.

int subDomain::loadInCut  )  const [inline]
 

Definition at line 175 of file subDomain.h.

References _weight, and Cut_Zone.

Referenced by PartitionBase< TYPEOFATOMS >::setLoad(), and AAPartition::statistiques().

int& subDomain::loadInKernel  )  [inline]
 

Definition at line 152 of file subDomain.h.

References _weight, and Core_Zone.

int subDomain::loadInKernel  )  const [inline]
 

Definition at line 149 of file subDomain.h.

References _weight, and Core_Zone.

Referenced by PartitionBase< TYPEOFATOMS >::setLoad(), and AAPartition::statistiques().

int& subDomain::loadInOverlap  )  [inline]
 

Definition at line 166 of file subDomain.h.

References _weight, and Overlap_Zone.

int subDomain::loadInOverlap  )  const [inline]
 

Definition at line 163 of file subDomain.h.

References _weight, and Overlap_Zone.

Referenced by PartitionBase< TYPEOFATOMS >::setLoad(), and AAPartition::statistiques().

int& subDomain::myNumber  )  [inline]
 

Definition at line 37 of file subDomain.h.

References _myNum.

int subDomain::myNumber  )  const [inline]
 

Definition at line 34 of file subDomain.h.

References _myNum.

Referenced by addAtomsFromSubdomainInOverlapAndCut().

int subDomain::numberOfAtomsInKernel  )  [inline]
 

Definition at line 137 of file subDomain.h.

References _indexInKernel.

Referenced by BoxPartition::setAtomsInKernel().

void subDomain::removeNeigboors std::vector< int > &  list  ) 
 

Definition at line 111 of file subDomain.cpp.

void subDomain::resetData  ) 
 

Definition at line 51 of file subDomain.cpp.

References _atomIsInKernel, _indexInCut, _indexInKernel, _indexInOverlap, _indexOfNeighbors, _numberOfAtoms, _numberOfAtomsCut, _numberOfAtomsKernel, _numberOfAtomsOverlap, _weight, Core_Zone, Cut_Zone, and Overlap_Zone.

Referenced by PartitionBase< TYPEOFATOMS >::resetData().

void subDomain::setMyNumber int  num  )  [inline]
 

Definition at line 43 of file subDomain.h.

References _localNum, and _myNum.

void subDomain::setMyNumber int  num,
const int  nx,
const int  ny,
const int  nz
[inline]
 

Definition at line 40 of file subDomain.h.

References _localNum, and _myNum.

Referenced by AAPartition::partitionate(), and BoxPartition::setNeigboors().

void subDomain::setNumberOfNeighbor const int  i,
const int  n
[inline]
 

Definition at line 65 of file subDomain.h.

References _indexOfNeighbors.

Referenced by PartitionBase< TYPEOFATOMS >::newReadFromFile(), and PartitionBase< TYPEOFATOMS >::oldReadFromFile().

void subDomain::setXmax const double *  x  )  [inline]
 

Definition at line 103 of file subDomain.h.

References _xmax.

Referenced by BoxPartition::computeBoxEquilibrateCharge(), BoxPartition::partitionate(), and AAPartition::setNeigboors().

void subDomain::setXmin const double *  x  )  [inline]
 

Definition at line 91 of file subDomain.h.

References _xmin.

void subDomain::setXmin const double &  x  )  [inline]
 

Definition at line 89 of file subDomain.h.

References _xmin.

Referenced by BoxPartition::computeBoxEquilibrateCharge(), BoxPartition::partitionate(), and AAPartition::setNeigboors().


Member Data Documentation

std::vector<int> subDomain::_atomIsInKernel [protected]
 

Definition at line 211 of file subDomain.h.

Referenced by addAtomsFromSubdomainInOverlapAndCut(), getAtomsIsInKernel(), and resetData().

std::vector<int>* subDomain::_indexInCut [protected]
 

Definition at line 216 of file subDomain.h.

Referenced by addIndexInCut(), buildLocalNumerotation(), computeNumberOfAtoms(), getAtomsIndexInCut(), getNumberOfAtomsInCut(), initNumberOfOverlapDomain(), resetData(), and ~subDomain().

std::vector<int> subDomain::_indexInKernel [protected]
 

Definition at line 210 of file subDomain.h.

Referenced by addIndexInKernel(), buildLocalNumerotation(), computeNumberOfAtoms(), getAtomsIndexInKernel(), numberOfAtomsInKernel(), and resetData().

std::vector<int>* subDomain::_indexInOverlap [protected]
 

Definition at line 215 of file subDomain.h.

Referenced by addIndexInOverlap(), buildLocalNumerotation(), computeNumberOfAtoms(), getAtomsIndexInOverlap(), getNumberOfAtomsInOverlap(), initNumberOfOverlapDomain(), resetData(), and ~subDomain().

std::vector<int> subDomain::_indexOfNeighbors [protected]
 

Definition at line 209 of file subDomain.h.

Referenced by addNeigboors(), buildLocalNumerotation(), computeNumberOfAtoms(), getLocalNumberOfSundomain(), getNeighboorsIndex(), getNumberOfNeighbor(), getNumberOfNeighbors(), initNumberOfOverlapDomain(), resetData(), and setNumberOfNeighbor().

double subDomain::_length[3] [protected]
 

Definition at line 208 of file subDomain.h.

int subDomain::_localNum[3] [protected]
 

Definition at line 200 of file subDomain.h.

Referenced by addAtomsFromSubdomainInOverlapAndCut(), getLocalNum(), setMyNumber(), and subDomain().

int subDomain::_myNum [protected]
 

Definition at line 199 of file subDomain.h.

Referenced by addAtomsFromSubdomainInOverlapAndCut(), buildLocalNumerotation(), computeNumberOfAtoms(), myNumber(), and setMyNumber().

int subDomain::_numberOfAtoms [protected]
 

Definition at line 201 of file subDomain.h.

Referenced by addIndexInCut(), addIndexInKernel(), addIndexInOverlap(), buildLocalNumerotation(), computeNumberOfAtoms(), getNumberOfAtoms(), and resetData().

int subDomain::_numberOfAtomsCut [protected]
 

Definition at line 204 of file subDomain.h.

Referenced by addIndexInCut(), computeNumberOfAtoms(), getNumberOfAtomsInCut(), and resetData().

int subDomain::_numberOfAtomsKernel [protected]
 

Definition at line 202 of file subDomain.h.

Referenced by addIndexInKernel(), computeNumberOfAtoms(), getNumberOfAtomsInKernel(), and resetData().

int subDomain::_numberOfAtomsOverlap [protected]
 

Definition at line 203 of file subDomain.h.

Referenced by addIndexInOverlap(), buildLocalNumerotation(), computeNumberOfAtoms(), getNumberOfAtomsInOverlap(), and resetData().

int subDomain::_weight[numberOfZone] [protected]
 

Definition at line 205 of file subDomain.h.

Referenced by load(), loadInCut(), loadInKernel(), loadInOverlap(), resetData(), and subDomain().

double subDomain::_xmax[3] [protected]
 

Definition at line 207 of file subDomain.h.

Referenced by addAtomsFromSubdomainInOverlapAndCut(), getCentre(), getLength(), getVolume(), getXLength(), getXmax(), getYLength(), getZLength(), setXmax(), and subDomain().

double subDomain::_xmin[3] [protected]
 

Definition at line 206 of file subDomain.h.

Referenced by addAtomsFromSubdomainInOverlapAndCut(), getCentre(), getLength(), getVolume(), getXLength(), getXmin(), getYLength(), getZLength(), setXmin(), and subDomain().


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