double minf(PointModel thisModel) {
//Now reduce the results
double total = 0;
Vals results;
results.resize(nuclei.size());
for(unsigned long i = 0;i<expVals.size();i++) {
results[i] = thisModel.eval(nuclei[i].x,nuclei[i].y,nuclei[i].z);
double diff = expVals[i] - results[i];
total += diff*diff;
}
//Push the results into
calcVals = results;
//Record the results
fout << thisModel.ax << " "
<< thisModel.rh << " "
<< thisModel.metal.x << " "
<< thisModel.metal.y << " "
<< thisModel.metal.z << " "
<< thisModel.angle_x << " "
<< thisModel.angle_y << " "
<< thisModel.angle_z << " " << endl;
return total;
}
int main() {
//Load the data
pairNucVals data = loadData("dataset_one.inp");
nuclei = data.first;
expVals = data.second;
calcVals.resize(expVals.size());
//Set up the model
PointModel m;
m.ax = 100.0;
m.rh = 0.0;
m.metal = Vector3((nuclei.xmin+nuclei.xmax)/2,
(nuclei.ymin+nuclei.ymax)/2,
(nuclei.zmin+nuclei.zmax)/2);
m.setEulerAngles(0,0,0);
//Start the visualisation thread
VisualThread visualThread;
visualThread.fw.setNuclei(nuclei);
visualThread.fw.setExpVals(expVals);
boost::thread boostVisualThread(boost::ref(visualThread));
//Initalise the minimizer
Minimiser<PointModel> minimiser(&unpackPointModel,
&packPointModel,
&minf,
bind(onIterate,boost::ref(visualThread),_1));
//Open the log file
fout.open("params.log");
if(!fout.is_open()) {
cerr << "Could not open params.log for writing" << endl;
return 1;
}
//Clear the results directory
system("rm results/*");
double best = numeric_limits<double>::infinity();
PointModel bestModel;
//Main loop
for(long i = 0;i<10;i++) {
for(long j = 0;j<10;j++) {
for(long k = 0;k<10;k++) {
double fx = i/10.0;
double fy = j/10.0;
double fz = k/10.0;
m.metal.x = nuclei.xmin*(1-fx) + nuclei.xmax*fx;
m.metal.y = nuclei.xmin*(1-fy) + nuclei.xmax*fy;
m.metal.z = nuclei.xmin*(1-fz) + nuclei.xmax*fz;
cout << "Starting: (" << m.metal.x << "," << m.metal.y << "," << m.metal.z << ")" << endl;
std::pair<double,PointModel> thePair = minimiser.minimise(m);
double found_min = thePair.first;
if(best > found_min) {
bestModel = thePair.second;
best = found_min;
cout << "New Best Model:" << endl;
cout << "ax = " << bestModel.ax
<< "rh = " << bestModel.rh
<< "x = " << bestModel.metal.x
<< "y = " << bestModel.metal.y
<< "z = " << bestModel.metal.z
<< "angle_x = " << bestModel.angle_x
<< "angle_y = " << bestModel.angle_y
<< "angle_z = " << bestModel.angle_z << endl << endl;
}
cout << "Finished, minimum = " << found_min << " best so far " << best <<endl;
}
}
}
return 0;
}