double Reflection::meanIntensityWithExclusion(std::string *filename, int start, int end)
{
if (filename == NULL)
return meanIntensity(true, start, end);
if (end == 0)
end = acceptedCount();
double total_intensity = 0;
double weight = 0;
int accepted = acceptedCount();
for (int i = start; i < end; i++)
{
MillerPtr miller = this->acceptedMiller(i);
if (accepted > 2 && miller->getFilename() == *filename)
continue;
total_intensity += miller->intensity() * miller->getPartiality();
weight += miller->getPartiality();
}
total_intensity /= weight;
return total_intensity;
}
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" << miller->getPartiality()
<< "\t" << miller->getSigma() << "\t" << miller->getFilename()
<< std::endl;
if (miller->accepted())
acceptedCount++;
}
logged << std::endl;
Logger::mainLogger->addStream(&logged);
}
double Reflection::meanPartiality(bool withCutoff)
{
int num = millerCount();
double total_partiality = 0;
int count = 0;
for (int i = 0; i < num; i++)
{
MillerPtr miller = millers[i];
if ((miller->accepted() && withCutoff) || !withCutoff)
{
total_partiality += miller->getPartiality();
count++;
}
}
total_partiality /= count;
return total_partiality;
}
