Pairlists Class Reference

#include <ComputeNonbondedUtil.h>

Public Member Functions
	Pairlists ()
	~Pairlists ()
plint *	newlist (int max_size)
plint *	newlist ()
void	newsize (int list_size)
void	reset ()
void	nextlist (plint **list, int *list_size)
int	getSize ()
void	addIndex ()
void	setIndexValue (plint i)
plint	getIndexValue ()

Detailed Description

Definition at line 35 of file ComputeNonbondedUtil.h.

Constructor & Destructor Documentation

Pairlists::Pairlists ( )

inline

Definition at line 43 of file ComputeNonbondedUtil.h.

: size(initsize) { data = new plint[initsize]; }

Pairlists::~Pairlists ( )

inline

Definition at line 44 of file ComputeNonbondedUtil.h.

{ delete [] data; }

Member Function Documentation

void Pairlists::addIndex ( )

inline

Definition at line 75 of file ComputeNonbondedUtil.h.

                  {  // assume space for index already allocated
    curpos++;
  }

plint Pairlists::getIndexValue ( )

inline

Definition at line 82 of file ComputeNonbondedUtil.h.

                        {
    return data[curpos++];
  }

int Pairlists::getSize ( )

inline

Definition at line 73 of file ComputeNonbondedUtil.h.

{ return size; }

plint* Pairlists::newlist ( int  max_size )

inline

Definition at line 45 of file ComputeNonbondedUtil.h.

References newsize().

Referenced by ComputeLCPO::doForce().

                               {  // get a new list w/ room for max_size
    int reqnewsize = curpos + max_size + 1;
    int newsize = size;
    while ( newsize < reqnewsize ) { newsize += newsize >> 1; }
    if ( newsize > size ) {
      plint *newdata = new plint[newsize];
      CmiMemcpy(newdata,data,curpos*sizeof(plint));
      delete [] data;
      data = newdata;
      size = newsize;
    }
    return &data[curpos+1];
  }

plint* Pairlists::newlist ( )

inline

Definition at line 60 of file ComputeNonbondedUtil.h.

                   {  // get a new list assuming already allocated
    return &data[curpos+1];
  }

void Pairlists::newsize ( int  list_size )

inline

Definition at line 64 of file ComputeNonbondedUtil.h.

Referenced by ComputeLCPO::doForce(), newlist(), and pairlistFromAll().

                              {  // set the size of the last list gotten
    data[curpos] = list_size;
    curpos += list_size + 1;
  }

void Pairlists::nextlist ( plint **  list, int *  list_size  )

inline

Definition at line 69 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedUtil::calcGBIS(), and ComputeLCPO::doForce().

                                              {  // get next list and size
    *list = &data[curpos+1];
    curpos += ( *list_size = data[curpos] ) + 1;
  }

void Pairlists::reset ( )

inline

Definition at line 68 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedUtil::calcGBIS(), ComputeLCPO::doForce(), and pairlistFromAll().

{ curpos = 0; }  // go back to the beginning

void Pairlists::setIndexValue ( plint  i )

inline

Definition at line 78 of file ComputeNonbondedUtil.h.

                              {  // assume no newsize since addIndex
    data[curpos-1] = i;
  }

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

• ComputeNonbondedUtil.h