void Reflection::reflectionDescription()
{
int acceptedCount = 0;
std::ostringstream logged;
for (int i = 0; i < millerCount(); i++)
{
MillerPtr miller = this->miller(i);
logged << miller->getH() << "\t" << miller->getK() << "\t" << miller->getL() << "\t"
<< miller->getRawIntensity() << "\t"
<< "\t" << miller->getSigma() << "\t" << miller->getFilename()
<< std::endl;
if (miller->accepted())
acceptedCount++;
}
logged << std::endl;
std::cout << logged.str();
}
double Miller::averageRawIntensity(vector<MillerPtr> millers)
{
double allIntensities = 0;
int num = 0;
for (int i = 0; i < millers.size(); i++)
{
MillerPtr miller = millers[i];
double anIntensity = miller->getRawIntensity();
if (anIntensity != anIntensity)
continue;
allIntensities += anIntensity;
num++;
}
allIntensities /= num;
return allIntensities;
}
void GraphDrawer::plotPolarisation(vector<MtzPtr> mtzs)
{
int count = 36;
int divide = 360 / count;
std::map<int, double> histogram;
std::map<int, int> counts;
for (int i = 0; i < mtzs.size(); i++)
{
for (int j = 0; j < mtzs[i]->reflectionCount(); j++)
{
if (!mtzs[i]->reflection(j)->betweenResolutions(1.8, 1.4))
continue;
for (int k = 0; k < mtzs[i]->reflection(j)->millerCount(); k++)
{
MillerPtr miller = mtzs[i]->reflection(j)->miller(k);
if (miller->getRawIntensity() < 0)
continue;
vec hkl = new_vector(miller->getH(), miller->getK(), miller->getL());
mtzs[i]->getMatrix()->multiplyVector(&hkl);
double angle = cartesian_to_angle(hkl.h, hkl.k);
double degrees = angle * 180 / M_PI;
int category = (int)(degrees / divide) * divide;
if (histogram.count(category) == 0)
{
histogram[category] = 0;
counts[category] = 0;
}
histogram[category] += miller->getRawIntensity();
counts[category]++;
}
}
}
vector<double> xs, ys;
GraphMap graphMap;
graphMap["yMin"] = 0;
graphMap["yMax"] = 200;
graphMap["title"] = "Average raw intensity vs angle on detector";
graphMap["xTitle"] = "Angle on detector";
graphMap["yTitle"] = "Average raw intensity";
int num = 0;
for (int i = 0; i <= 0; i++)
{
for (std::map<int, double>::iterator it = histogram.begin(); it != histogram.end(); it++)
{
if (i == 0)
histogram[it->first] /= counts[it->first];
xs.push_back(it->first + (i * 360));
ys.push_back(histogram[it->first]);
num++;
}
}
std::cout << "Number of X values: " << num << std::endl;
plot("polarisation", graphMap, xs, ys);
}
