/// Split this function (if needed) into a list of independent functions.
/// The number of functions must be the number of domains this function is
/// working on (== getNumberDomains()). The result of evaluation of the
/// created functions on their domains must be the same as if this function
/// was evaluated on the composition of those domains.
std::vector<IFunction_sptr>
CompositeFunction::createEquivalentFunctions() const {
auto nd = getNumberDomains();
if (nd == 1) {
return std::vector<IFunction_sptr>(
1, FunctionFactory::Instance().createInitialized(asString()));
}
auto nf = nFunctions();
std::vector<std::vector<IFunction_sptr>> equiv;
equiv.reserve(nf);
for (size_t i = 0; i < nf; ++i) {
equiv.push_back(getFunction(i)->createEquivalentFunctions());
}
std::vector<IFunction_sptr> funs;
funs.reserve(nd);
for (size_t i = 0; i < nd; ++i) {
auto comp = new CompositeFunction;
funs.push_back(IFunction_sptr(comp));
for (size_t j = 0; j < nf; ++j) {
comp->addFunction(equiv[j][i]);
}
}
return funs;
}
/// Build a function for a single spectrum.
API::IFunction_sptr CrystalFieldMultiSpectrum::buildSpectrum(
int nre, const DoubleFortranVector &en, const ComplexFortranMatrix &wf,
double temperature, double fwhm, size_t iSpec) const {
FunctionValues values;
calcExcitations(nre, en, wf, temperature, values, iSpec);
m_nPeaks[iSpec] = CrystalFieldUtils::calculateNPeaks(values);
auto fwhmVariation = getAttribute("FWHMVariation").asDouble();
auto peakShape = IFunction::getAttribute("PeakShape").asString();
auto bkgdShape = IFunction::getAttribute("Background").asUnquotedString();
size_t nRequiredPeaks = IFunction::getAttribute("NPeaks").asInt();
bool fixAllPeaks = getAttribute("FixAllPeaks").asBool();
if (!bkgdShape.empty() && bkgdShape.find("name=") != 0 &&
bkgdShape.front() != '(') {
bkgdShape = "name=" + bkgdShape;
}
auto spectrum = new CompositeFunction;
auto background =
API::FunctionFactory::Instance().createInitialized(bkgdShape);
spectrum->addFunction(background);
m_nPeaks[iSpec] = CrystalFieldUtils::buildSpectrumFunction(
*spectrum, peakShape, values, m_fwhmX[iSpec], m_fwhmY[iSpec],
fwhmVariation, fwhm, nRequiredPeaks, fixAllPeaks);
return IFunction_sptr(spectrum);
}
/**
* Returns the shrared pointer to the function conataining a parameter
* @param ref :: The reference
* @return A function containing parameter pointed to by ref
*/
IFunction_sptr
CompositeFunction::getContainingFunction(const ParameterReference &ref) const {
for (size_t iFun = 0; iFun < nFunctions(); iFun++) {
IFunction_sptr fun = getFunction(iFun);
if (fun->getParameterIndex(ref) < fun->nParams()) {
return fun;
}
}
return IFunction_sptr();
}
/**
* Is the function set and valid?
*/
bool CostFuncFitting::isValid() const
{
return m_function != IFunction_sptr();
}