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
Patch *	patch
int	numAtoms
int	numFreeAtoms
int	atomStart
int	pe
int	reversePriorityRankInPe
bool	isSamePhysicalNode
bool	isSameNode
CompAtom *	compAtom
Results *	results
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
Real *	intRad
GBReal *	psiSum
Real *	bornRad
GBReal *	dEdaSum
Real *	dHdrPrefix

Detailed Description

Definition at line 41 of file CudaComputeNonbonded.h.

Constructor & Destructor Documentation

PatchRecord()

CudaComputeNonbonded::PatchRecord::PatchRecord ( PatchID  patchID )

inline

Definition at line 42 of file CudaComputeNonbonded.h.

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

                                 : patchID(patchID) {
      patch = NULL;
      compAtom = NULL;
      results = NULL;
      positionBox = NULL;
      forceBox = NULL;
      intRadBox = NULL;
      psiSumBox = NULL;
      bornRadBox = NULL;
      dEdaSumBox = NULL;
      dHdrPrefixBox = NULL;
    }

Member Function Documentation

operator<()

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

inline

Definition at line 82 of file CudaComputeNonbonded.h.

References patchID.

                                                  {
      return (patchID < pr.patchID);
    }

operator==()

bool CudaComputeNonbonded::PatchRecord::operator== ( const PatchRecord &  pr ) const

inline

Definition at line 85 of file CudaComputeNonbonded.h.

References patchID.

                                                   {
      return (patchID == pr.patchID);
    }

Member Data Documentation

atomStart

int CudaComputeNonbonded::PatchRecord::atomStart

Definition at line 58 of file CudaComputeNonbonded.h.

Referenced by CudaComputeNonbonded::launchWork().

bornRad

Real* CudaComputeNonbonded::PatchRecord::bornRad

Definition at line 79 of file CudaComputeNonbonded.h.

bornRadBox

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

Definition at line 74 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

compAtom

CompAtom* CudaComputeNonbonded::PatchRecord::compAtom

Definition at line 66 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

dEdaSum

GBReal* CudaComputeNonbonded::PatchRecord::dEdaSum

Definition at line 80 of file CudaComputeNonbonded.h.

dEdaSumBox

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

Definition at line 75 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

dHdrPrefix

Real* CudaComputeNonbonded::PatchRecord::dHdrPrefix

Definition at line 81 of file CudaComputeNonbonded.h.

dHdrPrefixBox

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

Definition at line 76 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

forceBox

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

Definition at line 71 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

intRad

Real* CudaComputeNonbonded::PatchRecord::intRad

Definition at line 77 of file CudaComputeNonbonded.h.

intRadBox

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

Definition at line 72 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

isSameNode

bool CudaComputeNonbonded::PatchRecord::isSameNode

Definition at line 64 of file CudaComputeNonbonded.h.

Referenced by cr_sortop_reverse_priority::pid_compare_priority().

isSamePhysicalNode

bool CudaComputeNonbonded::PatchRecord::isSamePhysicalNode

Definition at line 63 of file CudaComputeNonbonded.h.

Referenced by cr_sortop_reverse_priority::pid_compare_priority().

numAtoms

int CudaComputeNonbonded::PatchRecord::numAtoms

Definition at line 56 of file CudaComputeNonbonded.h.

Referenced by CudaComputeNonbonded::launchWork().

numFreeAtoms

int CudaComputeNonbonded::PatchRecord::numFreeAtoms

Definition at line 57 of file CudaComputeNonbonded.h.

patch

Patch* CudaComputeNonbonded::PatchRecord::patch

Definition at line 55 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

patchID

PatchID CudaComputeNonbonded::PatchRecord::patchID

Definition at line 54 of file CudaComputeNonbonded.h.

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

pe

int CudaComputeNonbonded::PatchRecord::pe

Definition at line 60 of file CudaComputeNonbonded.h.

Referenced by cr_sortop_reverse_priority::pid_compare_priority().

positionBox

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

Definition at line 70 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

psiSum

GBReal* CudaComputeNonbonded::PatchRecord::psiSum

Definition at line 78 of file CudaComputeNonbonded.h.

psiSumBox

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

Definition at line 73 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

results

Results* CudaComputeNonbonded::PatchRecord::results

Definition at line 68 of file CudaComputeNonbonded.h.

Referenced by PatchRecord().

reversePriorityRankInPe

int CudaComputeNonbonded::PatchRecord::reversePriorityRankInPe

Definition at line 62 of file CudaComputeNonbonded.h.

Referenced by cr_sortop_reverse_priority::pid_compare_priority().

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

• CudaComputeNonbonded.h