void
print_clustering(point ps[], int n, int k, int cs[],FILE *output)
{
int i;
char str[MAXSTR+1];
for(i=0;i<n;i++){
point2string(str,ps[i]);
fprintf(output,"%s %4d\n",str,cs[i]+1);
}
}
void
test_read(point ps[], int n, int k, FILE *output)
{
int i,j;
char str[MAXSTR+1];
fprintf(output,"k is %8d\n",k);
for(i=0;i<n;i++){
point2string(str,ps[i]);
fprintf(output,"ps[%6d]: %s\n",i,str);
}
for(i=0;i<n;i++){
for(j=i;j<n;j++){
fprintf(output,"d(ps[%4d],ps[%4d]) = %20.10Lf\n",
i,j,dist(ps[i],ps[j]));
}
}
}
void OutputPDB::writeVectorPoint(ostream &s, vector_point_sp vp)
{
int line = 0;
if (m_step_counter && !m_multiple_files)
s << endl;
s << "COMPND particle positions" << endl;
for (vector<point_t>::iterator i = vp->begin(); i != vp->end(); i++) {
s << "HETATM " << setw(4) << (line+1) << " H 1 " << point2string(*i, false) << " 1.00 0.00 H" << endl;
line++;
}
s << "TER " << setw(7) << (line+1) << endl;
s << "END" << endl;
}