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CudaComputeNonbonded::PatchRecord Struct Reference

#include <CudaComputeNonbonded.h>

Public Member Functions

 PatchRecord (PatchID patchID)
 
bool operator< (const PatchRecord &pr) const
 
bool operator== (const PatchRecord &pr) const
 

Public Attributes

PatchID patchID
 
Patchpatch
 
int numAtoms
 
int numFreeAtoms
 
int atomStart
 
int pe
 
int reversePriorityRankInPe
 
bool isSamePhysicalNode
 
bool isSameNode
 
CompAtomcompAtom
 
Resultsresults
 
Box< Patch, CompAtom > * positionBox
 
Box< Patch, Results > * forceBox
 
Box< Patch, Real > * intRadBox
 
Box< Patch, GBReal > * psiSumBox
 
Box< Patch, Real > * bornRadBox
 
Box< Patch, GBReal > * dEdaSumBox
 
Box< Patch, Real > * dHdrPrefixBox
 
RealintRad
 
GBRealpsiSum
 
RealbornRad
 
GBRealdEdaSum
 
RealdHdrPrefix
 

Detailed Description

Definition at line 31 of file CudaComputeNonbonded.h.

Constructor & Destructor Documentation

CudaComputeNonbonded::PatchRecord::PatchRecord ( PatchID  patchID)
inline

Definition at line 32 of file CudaComputeNonbonded.h.

References bornRadBox, compAtom, dEdaSumBox, dHdrPrefixBox, forceBox, intRadBox, patch, positionBox, psiSumBox, and results.

32  : patchID(patchID) {
33  patch = NULL;
34  compAtom = NULL;
35  results = NULL;
36  positionBox = NULL;
37  forceBox = NULL;
38  intRadBox = NULL;
39  psiSumBox = NULL;
40  bornRadBox = NULL;
41  dEdaSumBox = NULL;
42  dHdrPrefixBox = NULL;
43  }
Box< Patch, CompAtom > * positionBox

Member Function Documentation

bool CudaComputeNonbonded::PatchRecord::operator< ( const PatchRecord pr) const
inline

Definition at line 72 of file CudaComputeNonbonded.h.

References patchID.

72  {
73  return (patchID < pr.patchID);
74  }
bool CudaComputeNonbonded::PatchRecord::operator== ( const PatchRecord pr) const
inline

Definition at line 75 of file CudaComputeNonbonded.h.

References patchID.

75  {
76  return (patchID == pr.patchID);
77  }

Member Data Documentation

int CudaComputeNonbonded::PatchRecord::atomStart

Definition at line 48 of file CudaComputeNonbonded.h.

Referenced by CudaComputeNonbonded::launchWork().

Real* CudaComputeNonbonded::PatchRecord::bornRad

Definition at line 69 of file CudaComputeNonbonded.h.

Box<Patch,Real>* CudaComputeNonbonded::PatchRecord::bornRadBox

Definition at line 64 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

CompAtom* CudaComputeNonbonded::PatchRecord::compAtom

Definition at line 56 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

GBReal* CudaComputeNonbonded::PatchRecord::dEdaSum

Definition at line 70 of file CudaComputeNonbonded.h.

Box<Patch,GBReal>* CudaComputeNonbonded::PatchRecord::dEdaSumBox

Definition at line 65 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

Real* CudaComputeNonbonded::PatchRecord::dHdrPrefix

Definition at line 71 of file CudaComputeNonbonded.h.

Box<Patch,Real>* CudaComputeNonbonded::PatchRecord::dHdrPrefixBox

Definition at line 66 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

Box<Patch,Results>* CudaComputeNonbonded::PatchRecord::forceBox

Definition at line 61 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

Real* CudaComputeNonbonded::PatchRecord::intRad

Definition at line 67 of file CudaComputeNonbonded.h.

Box<Patch,Real>* CudaComputeNonbonded::PatchRecord::intRadBox

Definition at line 62 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

bool CudaComputeNonbonded::PatchRecord::isSameNode
bool CudaComputeNonbonded::PatchRecord::isSamePhysicalNode
int CudaComputeNonbonded::PatchRecord::numAtoms

Definition at line 46 of file CudaComputeNonbonded.h.

Referenced by CudaComputeNonbonded::launchWork().

int CudaComputeNonbonded::PatchRecord::numFreeAtoms

Definition at line 47 of file CudaComputeNonbonded.h.

Patch* CudaComputeNonbonded::PatchRecord::patch

Definition at line 45 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

PatchID CudaComputeNonbonded::PatchRecord::patchID

Definition at line 44 of file CudaComputeNonbonded.h.

Referenced by operator<(), and operator==().

int CudaComputeNonbonded::PatchRecord::pe
Box<Patch,CompAtom>* CudaComputeNonbonded::PatchRecord::positionBox

Definition at line 60 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

GBReal* CudaComputeNonbonded::PatchRecord::psiSum

Definition at line 68 of file CudaComputeNonbonded.h.

Box<Patch,GBReal>* CudaComputeNonbonded::PatchRecord::psiSumBox

Definition at line 63 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

Results* CudaComputeNonbonded::PatchRecord::results

Definition at line 58 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

int CudaComputeNonbonded::PatchRecord::reversePriorityRankInPe

The documentation for this struct was generated from the following file: