IloInt choose(IloCP cp, IloIntVarArray vars, IloInt i) {
IloIntVar var = vars[i];
IloNum best = IloInfinity;
IloInt bestValue = cp.getMin(var);
IloNum centroid = CalcCentroid(cp, var);
for (IloCP::IntVarIterator it(cp, var); it.ok(); ++it) {
IloNum eval = IloAbs(centroid - *it);
if (eval < best) {
best = eval;
bestValue = *it;
}
}
return bestValue;
}
IloInt choose(IloCP cp, IloIntVarArray vars) {
IloNum best = IloInfinity;
IloInt bestIndex = -1;
IloInt n = vars.getSize();
for (IloInt i = 0; i < n; i++) {
if (!cp.isFixed(vars[i])) {
IloNum c = CalcCentroid(cp, vars[i]);
if (c < best) {
best = c;
bestIndex = i;
}
}
}
return bestIndex;
}
void
FitTLSModel(Chain::SegmentSet& segment_set, IFitTLSModel& tls_fit, TLSModel& tls_model) {
// calculate the centroid of the atoms which are to
// be fit and use it as the origin of the TLS tensors
double x, y, z;
CalcCentroid(segment_set.begin(), segment_set.end(), &x, &y, &z);
tls_model.set_origin(x, y, z);
// set the datapoints for the fit
tls_fit.reset_fit(&tls_model, CalcNumAtoms(segment_set.begin(), segment_set.end()));
Chain::SegmentSet::AtomIterator atom;
for (atom = segment_set.begin(); atom != segment_set.end(); ++atom) {
tls_fit.set_atom_data_point(*atom);
}
tls_fit.fit_params();
}
IloNum eval(IloCP cp, IloIntVar var, IloInt value) {
return IloAbs(CalcCentroid(cp, var) - value);
}
IloNum eval(IloCP cp, IloIntVar var) { return CalcCentroid(cp, var); }
void ATriangle::Init()
{
type = OBJ_TRIANGLE;
CalcNormal();
CalcCentroid();
}