TuplePatchElem Class Reference

#include <ComputeHomeTuples.h>

Public Member Functions
int	hash () const
	TuplePatchElem (PatchID pid=-1)
	TuplePatchElem (Patch *p_param, Compute *cid)
	~TuplePatchElem ()
int	operator== (const TuplePatchElem &elem) const
int	operator< (const TuplePatchElem &elem) const

Public Attributes
PatchID	patchID
Patch *	p
Box< Patch, CompAtom > *	positionBox
Box< Patch, CompAtom > *	avgPositionBox
Box< Patch, Results > *	forceBox
CompAtom *	x
CompAtomExt *	xExt
CompAtom *	x_avg
Results *	r
Force *	f
Force *	af

Detailed Description

Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.

Definition at line 38 of file ComputeHomeTuples.h.

Constructor & Destructor Documentation

TuplePatchElem() [1/2]

TuplePatchElem::TuplePatchElem ( PatchID  pid = -1 )

inline

Definition at line 54 of file ComputeHomeTuples.h.

References af, avgPositionBox, f, forceBox, p, patchID, positionBox, r, x, x_avg, and xExt.

                                   {
    patchID = pid;
    p = NULL;
    positionBox = NULL;
    avgPositionBox = NULL;
    forceBox = NULL;
    x = NULL;
    xExt = NULL;
    x_avg = NULL;
    r = NULL;
    f = NULL;
    af = NULL;
  }

TuplePatchElem() [2/2]

TuplePatchElem::TuplePatchElem ( Patch *  p_param, Compute *  cid  )

inline

Definition at line 68 of file ComputeHomeTuples.h.

References af, avgPositionBox, f, forceBox, Patch::getPatchID(), p, patchID, positionBox, r, Patch::registerAvgPositionPickup(), Patch::registerForceDeposit(), Patch::registerPositionPickup(), x, x_avg, and xExt.

                                               {
    patchID = p_param->getPatchID();
    p = p_param;
    positionBox = p_param->registerPositionPickup(cid);
    avgPositionBox = p_param->registerAvgPositionPickup(cid);
    forceBox = p_param->registerForceDeposit(cid);
    x = NULL;
    xExt = NULL;
    x_avg = NULL;
    r = NULL;
    f = NULL;
    af = NULL;
  }

~TuplePatchElem()

TuplePatchElem::~TuplePatchElem ( )

inline

Definition at line 82 of file ComputeHomeTuples.h.

{};

Member Function Documentation

hash()

int TuplePatchElem::hash ( void  ) const

inline

Definition at line 52 of file ComputeHomeTuples.h.

References patchID.

{ return patchID; }

operator<()

int TuplePatchElem::operator< ( const TuplePatchElem &  elem ) const

inline

Definition at line 88 of file ComputeHomeTuples.h.

References patchID.

                                                  {
    return (patchID < elem.patchID);
  }

operator==()

int TuplePatchElem::operator== ( const TuplePatchElem &  elem ) const

inline

Definition at line 84 of file ComputeHomeTuples.h.

References patchID.

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

Member Data Documentation

af

Force* TuplePatchElem::af

Definition at line 50 of file ComputeHomeTuples.h.

Referenced by CrosstermElem::computeForce(), DihedralElem::computeForce(), ComputeHomeTuples< TholeElem, Thole, TholeValue >::doWork(), and TuplePatchElem().

avgPositionBox

Box<Patch,CompAtom>* TuplePatchElem::avgPositionBox

Definition at line 43 of file ComputeHomeTuples.h.

Referenced by ComputeHomeTuples< TholeElem, Thole, TholeValue >::doWork(), TuplePatchElem(), and ComputeSelfTuples< TholeElem, Thole, TholeValue >::~ComputeSelfTuples().

f

Force* TuplePatchElem::f

Definition at line 49 of file ComputeHomeTuples.h.

Referenced by OneFourNbTholeElem::computeForce(), AngleElem::computeForce(), DihedralElem::computeForce(), ImproperElem::computeForce(), CrosstermElem::computeForce(), TholeElem::computeForce(), AnisoElem::computeForce(), BondElem::computeForce(), GromacsPairElem::computeForce(), ComputeHomeTuples< TholeElem, Thole, TholeValue >::doWork(), and TuplePatchElem().

forceBox

Box<Patch,Results>* TuplePatchElem::forceBox

Definition at line 44 of file ComputeHomeTuples.h.

Referenced by ComputeHomeTuples< TholeElem, Thole, TholeValue >::doWork(), TuplePatchElem(), and ComputeSelfTuples< TholeElem, Thole, TholeValue >::~ComputeSelfTuples().

p

Patch* TuplePatchElem::p

Definition at line 41 of file ComputeHomeTuples.h.

Referenced by OneFourNbTholeElem::computeForce(), AngleElem::computeForce(), CrosstermElem::computeForce(), DihedralElem::computeForce(), ImproperElem::computeForce(), AnisoElem::computeForce(), TholeElem::computeForce(), ExclElem::computeForce(), BondElem::computeForce(), GromacsPairElem::computeForce(), ComputeHomeTuples< TholeElem, Thole, TholeValue >::doWork(), ComputeHomeTuples< TholeElem, Thole, TholeValue >::loadTuples(), TuplePatchElem(), and ComputeSelfTuples< TholeElem, Thole, TholeValue >::~ComputeSelfTuples().

patchID

PatchID TuplePatchElem::patchID

Definition at line 40 of file ComputeHomeTuples.h.

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

positionBox

Box<Patch,CompAtom>* TuplePatchElem::positionBox

Definition at line 42 of file ComputeHomeTuples.h.

Referenced by ComputeHomeTuples< TholeElem, Thole, TholeValue >::doWork(), TuplePatchElem(), and ComputeSelfTuples< TholeElem, Thole, TholeValue >::~ComputeSelfTuples().

r

Results* TuplePatchElem::r

Definition at line 48 of file ComputeHomeTuples.h.

Referenced by ExclElem::computeForce(), ComputeHomeTuples< TholeElem, Thole, TholeValue >::doWork(), and TuplePatchElem().

x

CompAtom* TuplePatchElem::x

Definition at line 45 of file ComputeHomeTuples.h.

Referenced by OneFourNbTholeElem::computeForce(), AngleElem::computeForce(), DihedralElem::computeForce(), ImproperElem::computeForce(), CrosstermElem::computeForce(), AnisoElem::computeForce(), TholeElem::computeForce(), ExclElem::computeForce(), BondElem::computeForce(), GromacsPairElem::computeForce(), ComputeHomeTuples< TholeElem, Thole, TholeValue >::doWork(), and TuplePatchElem().

x_avg

CompAtom* TuplePatchElem::x_avg

Definition at line 47 of file ComputeHomeTuples.h.

Referenced by ComputeHomeTuples< TholeElem, Thole, TholeValue >::doWork(), and TuplePatchElem().

xExt

CompAtomExt* TuplePatchElem::xExt

Definition at line 46 of file ComputeHomeTuples.h.

Referenced by ComputeHomeTuples< TholeElem, Thole, TholeValue >::doWork(), and TuplePatchElem().

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

• ComputeHomeTuples.h