size_t PawleyFunction::calculateFunctionValues(
const API::IPeakFunction_sptr &peak, const API::FunctionDomain1D &domain,
API::FunctionValues &localValues) const {
size_t domainSize = domain.size();
const double *domainBegin = domain.getPointerAt(0);
const double *domainEnd = domain.getPointerAt(domainSize);
double centre = peak->centre();
double dx = m_peakRadius * peak->fwhm();
auto lb = std::lower_bound(domainBegin, domainEnd, centre - dx);
auto ub = std::upper_bound(lb, domainEnd, centre + dx);
size_t n = std::distance(lb, ub);
if (n == 0) {
throw std::invalid_argument("Null-domain");
}
FunctionDomain1DView localDomain(lb, n);
localValues.reset(localDomain);
peak->functionLocal(localValues.getPointerToCalculated(0),
localDomain.getPointerAt(0), n);
return std::distance(domainBegin, lb);
}
//----------------------------------------------------------------------------------------------
/// Extract values from domain and values objects to vectors.
/// @param domain :: A domain with fitting data arguments.
/// @param values :: A FunctionValues object with the fitting data.
/// @param x :: A vector to store the domain values
/// @param y :: A vector to store the fitting data values.
void extractValues(const API::FunctionDomain1D &domain,
const API::FunctionValues &values, std::vector<double> &x,
std::vector<double> &y) {
size_t n = domain.size();
double start = domain[0];
double end = domain[n - 1];
auto dBegin = domain.getPointerAt(0);
auto startIter = std::lower_bound(dBegin, dBegin + n, start);
auto istart = static_cast<size_t>(std::distance(dBegin, startIter));
if (istart == n) {
x.clear();
y.clear();
return;
}
auto endIter = std::lower_bound(startIter, dBegin + n, end);
auto iend = static_cast<size_t>(std::distance(dBegin, endIter));
if (iend <= istart) {
x.clear();
y.clear();
return;
}
n = iend - istart;
x.resize(n);
y.resize(n);
for (size_t i = istart; i < iend; ++i) {
auto j = i - istart;
x[j] = domain[i];
y[j] = values.getFitData(i);
}
}