OOPSE/libmdtools/Exclude.cpp

#include <iostream>
#include <cstdlib>


#include "Exclude.hpp"

int Exclude::nExcludes;
int* Exclude::exPairs;

Exclude::Exclude( int theIndex ){ 
  
  index = theIndex;
  exI = index*2;
  exJ = index*2 + 1;
}

void Exclude::createArray( int the_nExcludes ){
  
  nExcludes = the_nExcludes;
  std::cerr << "nExcludes = " << nExcludes << "\n";
  exPairs = new int[nExcludes*2];
}

void Exclude::destroyArray( void ){
  delete[] exPairs;
}

void Exclude::printMe( void ){
  
  std::cerr << "exclude[" << index << "] i, j: " << exPairs[exI] << " - " << exPairs[exJ] << "\n";
}

void Exclude::setPair( int i, int j ){
  exPairs[exI] = i;
  exPairs[exJ] = j;
}

void Exclude::addExcludePairs(int nAdded, int* AexPairs) {
  int nNew = nExcludes + nAdded;
  
  int* new_exPairs = new int[nNew*2];
  int i, j;

  for (i = 0; i < 2*nExcludes; i++) {
    new_exPairs[i] = exPairs[i];
  }

  for (i=0; i < 2*nAdded; i++) {
    j = i + 2*nExcludes;
    new_exPairs[j] = AexPairs[i];
  }

  delete[] exPairs;

  exPairs = new_exPairs;

  nExcludes = nNew;
}

void Exclude::deleteExcludePair(int theIndex) {
  deleteRange(theIndex, theIndex);
}

void Exclude::deleteRange(int startIndex, int stopIndex) {

  int nNew = nExcludes - (stopIndex - startIndex + 1);
  int* new_exPairs = new int[nNew*2];
  int i, j;

  for (i=0; i < 2*startIndex; i++) {
    new_exPairs[i] = exPairs[i];
  }
  for(i=2*(stopIndex+1); i < 2*nExcludes; i++) {
    j = i-2*startIndex + 1;
    new_exPairs[j] = exPairs[i];
  }

  delete[] exPairs;
  
  exPairs = new_exPairs;
  nExcludes = nNew;
}
Revision:	438
Committed:	Mon Mar 31 21:50:59 2003 UTC (21 years, 3 months ago) by chuckv
File size:	1558 byte(s)
Log Message:	Fixes in MPI force calc and in Trappe_Ex parsing.
#	User	Rev	Content
1	mmeineke	431	#include <iostream>
2	mmeineke	408	#include <cstdlib>
3
4	mmeineke	431
5	mmeineke	408	#include "Exclude.hpp"
6
7	mmeineke	413	int Exclude::nExcludes;
8	mmeineke	428	int* Exclude::exPairs;
9	mmeineke	408
10	gezelter	410	Exclude::Exclude( int theIndex ){
11	mmeineke	435
12			index = theIndex;
13			exI = index*2;
14			exJ = index*2 + 1;
15	mmeineke	408	}
16
17	mmeineke	412	void Exclude::createArray( int the_nExcludes ){
18
19			nExcludes = the_nExcludes;
20	mmeineke	431	std::cerr << "nExcludes = " << nExcludes << "\n";
21	gezelter	410	exPairs = new int[nExcludes*2];
22	mmeineke	408	}
23
24	gezelter	410	void Exclude::destroyArray( void ){
25			delete[] exPairs;
26	mmeineke	408	}
27
28	mmeineke	435	void Exclude::printMe( void ){
29
30	chuckv	438	std::cerr << "exclude[" << index << "] i, j: " << exPairs[exI] << " - " << exPairs[exJ] << "\n";
31	mmeineke	435	}
32
33	mmeineke	408	void Exclude::setPair( int i, int j ){
34	gezelter	410	exPairs[exI] = i;
35			exPairs[exJ] = j;
36			}
37	mmeineke	408
38	gezelter	410	void Exclude::addExcludePairs(int nAdded, int* AexPairs) {
39			int nNew = nExcludes + nAdded;
40
41			int* new_exPairs = new int[nNew*2];
42			int i, j;
43
44			for (i = 0; i < 2*nExcludes; i++) {
45			new_exPairs[i] = exPairs[i];
46			}
47
48			for (i=0; i < 2*nAdded; i++) {
49			j = i + 2*nExcludes;
50			new_exPairs[j] = AexPairs[i];
51			}
52
53			delete[] exPairs;
54
55			exPairs = new_exPairs;
56
57			nExcludes = nNew;
58	mmeineke	408	}
59	gezelter	410
60			void Exclude::deleteExcludePair(int theIndex) {
61			deleteRange(theIndex, theIndex);
62			}
63
64			void Exclude::deleteRange(int startIndex, int stopIndex) {
65
66			int nNew = nExcludes - (stopIndex - startIndex + 1);
67			int* new_exPairs = new int[nNew*2];
68			int i, j;
69
70			for (i=0; i < 2*startIndex; i++) {
71			new_exPairs[i] = exPairs[i];
72			}
73			for(i=2(stopIndex+1); i < 2nExcludes; i++) {
74			j = i-2*startIndex + 1;
75			new_exPairs[j] = exPairs[i];
76			}
77
78			delete[] exPairs;
79
80			exPairs = new_exPairs;
81			nExcludes = nNew;
82			}