bool operator()(tEdge const & l, tEdge const & r) const {
if (compareDistances(l.distance_ub, r.distance_ub))
return true;
else if (compareDistances(r.distance_ub, l.distance_ub))
return false;
else if (l.lowCluster < r.lowCluster)
return true;
else if (l.lowCluster > r.lowCluster)
return false;
else
return (l.highCluster < r.highCluster);
}
void assessSwap(COORD*before,COORD*after,int nc,int pair[])
{
int length = pair[1]-pair[0]+1;
fprintf(stderr,"Checking coords...\n");
fprintf(stderr,"First part...\n");
compareTours(before,after,pair[0],0);
fprintf(stderr,"Middle part...\n");
compareTours(before+pair[0],after+pair[0],length,1);
fprintf(stderr,"Last part...\n");
compareTours(before+pair[1]+1,after+pair[1]+1,nc-pair[1]-1,0);
fprintf(stderr,"\n");
//swapped edges
//compareSums(before+pair[0]-1,after+pair[1]-1,1);
//compareSums(before+pair[1]-1,after+pair[0]-1,0);
fprintf(stderr,"Checking distances...\n");
fprintf(stderr,"First part...\n");
compareDistances(before,after,pair[0],0);
fprintf(stderr,"Middle part...\n");
compareDistances(before+pair[0],after+pair[0],length,1);
fprintf(stderr,"Last part...\n");
compareDistances(before+pair[1]+1,after+pair[1]+1,nc-pair[1]-1,0);
fprintf(stderr,"\n");
}
void joinDistances( std::list<AtomRecord> *atomlist,
Real *distances,
Integer Nsites,
Integer *Joins
)
{
std::list<AtomRecord>::iterator it1,it2;
int i,j;
Integer N2 = Nsites * Nsites;
memset( Joins, //void *s,
0, // int c,
N2 * sizeof(Integer) //size_t n
);
for(i=0, it1 = atomlist->begin(); i<Nsites; i++,it1++)
{
AtomRecord atom1 = *it1;
for( j=i, it2=it1; j<Nsites; j++,it2++)
{
AtomRecord atom2 = *it2;
if( strcmp( atom1.element, atom2.element)==0 &&
compareDistances( distances, //Real *distances,
Nsites, //Integer Nsites,
i, //Integer lineA,
j //Integer lineB,
//Real eps = 1e-2
)
) //if
{
Joins[ i*Nsites + j ] = 1;
Joins[ j*Nsites + i ] = 1;
}
}//for j
}//for i
}
