/** Restore function parameter values saved in a (string,double) map to a function object
* and a (string, Parameter) map
*/
void restoreFunctionParameterValue(map<string, pair<double, double> > parvaluemap, IFunction_sptr function,
map<string, Parameter>& parammap)
{
vector<string> parnames = function->getParameterNames();
for (size_t i = 0; i < parnames.size(); ++i)
{
string& parname = parnames[i];
map<string, pair<double, double> >::iterator miter;
miter = parvaluemap.find(parname);
if (miter != parvaluemap.end())
{
double parvalue = miter->second.first;
double parerror = miter->second.second;
// 1. Function
function->setParameter(parname, parvalue);
// 2. Parameter map
map<string, Parameter>::iterator pariter = parammap.find(parname);
if (pariter != parammap.end())
{
// Find the entry
pariter->second.value = parvalue;
pariter->second.error = parerror;
}
}
}
return;
}
IFunction_sptr IqtFit::createUserFunction(const QString &name, bool tie) {
IFunction_sptr result =
FunctionFactory::Instance().createFunction("UserFunction");
std::string formula;
if (name.startsWith("Exp")) {
formula = "Intensity*exp(-(x/Tau))";
} else {
formula = "Intensity*exp(-(x/Tau)^Beta)";
}
IFunction::Attribute att(formula);
result->setAttribute("Formula", att);
QList<QtProperty *> props = m_properties[name]->subProperties();
for (int i = 0; i < props.size(); i++) {
std::string name = props[i]->propertyName().toStdString();
result->setParameter(name, m_dblManager->value(props[i]));
// add tie if parameter is fixed
if (tie || !props[i]->subProperties().isEmpty()) {
std::string value = props[i]->valueText().toStdString();
result->tie(name, value);
}
}
result->applyTies();
return result;
}
/**
* Create a function from an expression.
* @param expr :: The input expression
* @param parentAttributes :: An output map filled with the attribute name & values of the parent function
* @return A pointer to the created function
*/
IFunction_sptr FunctionFactoryImpl::createSimple(const Expression& expr, std::map<std::string,std::string>& parentAttributes)const
{
if (expr.name() == "=" && expr.size() > 1)
{
return createFunction(expr.terms()[1].name());
}
if (expr.name() != "," || expr.size() == 0)
{
inputError(expr.str());
}
const std::vector<Expression>& terms = expr.terms();
std::vector<Expression>::const_iterator term = terms.begin();
if (term->name() != "=") inputError(expr.str());
if (term->terms()[0].name() != "name" && term->terms()[0].name() != "composite")
{
throw std::invalid_argument("Function name must be defined before its parameters");
}
std::string fnName = term->terms()[1].name();
IFunction_sptr fun = createFunction(fnName);
for(++term;term!=terms.end();++term)
{// loop over function's parameters/attributes
if (term->name() != "=") inputError(expr.str());
std::string parName = term->terms()[0].name();
std::string parValue = term->terms()[1].str();
if (fun->hasAttribute(parName))
{// set attribute
if (parValue.size() > 1 && parValue[0] == '"')
{// remove the double quotes
parValue = parValue.substr(1,parValue.size()-2);
}
IFunction::Attribute att = fun->getAttribute(parName);
att.fromString(parValue);
fun->setAttribute(parName,att);
}
else if (parName.size() >= 10 && parName.substr(0,10) == "constraint")
{// or it can be a list of constraints
addConstraints(fun,(*term)[1]);
}
else if (parName == "ties")
{
addTies(fun,(*term)[1]);
}
else if (!parName.empty() && parName[0] == '$')
{
parName.erase(0,1);
parentAttributes[parName] = parValue;
}
else
{// set initial parameter value
fun->setParameter(parName,atof(parValue.c_str()));
}
}// for term
fun->applyTies();
return fun;
}
/**
* Adds background functions for the background if applicable
*
* If specified by the user via the corresponding algorithm parameters,
* this function adds a constant and a linear background term to the
* supplied Poldi2DFunction.
*
* @param poldi2DFunction :: Poldi2DFunction to which the background is added.
*/
void PoldiFitPeaks2D::addBackgroundTerms(
Poldi2DFunction_sptr poldi2DFunction) const {
bool addConstantBackground = getProperty("FitConstantBackground");
if (addConstantBackground) {
IFunction_sptr constantBackground =
FunctionFactory::Instance().createFunction(
"PoldiSpectrumConstantBackground");
constantBackground->setParameter(
0, getProperty("ConstantBackgroundParameter"));
poldi2DFunction->addFunction(constantBackground);
}
bool addLinearBackground = getProperty("FitLinearBackground");
if (addLinearBackground) {
IFunction_sptr linearBackground =
FunctionFactory::Instance().createFunction(
"PoldiSpectrumLinearBackground");
linearBackground->setParameter(0, getProperty("LinearBackgroundParameter"));
poldi2DFunction->addFunction(linearBackground);
}
}
/** Set parameter values to function from Parameter map
*/
void RefinePowderInstrumentParameters2::setFunctionParameterValues(IFunction_sptr function,
map<string, Parameter> params)
{
// 1. Prepare
vector<string> funparamnames = function->getParameterNames();
// 2. Set up
stringstream msgss;
msgss << "Set Instrument Function Parameter : " << endl;
std::map<std::string, Parameter>::iterator paramiter;
for (size_t i = 0; i < funparamnames.size(); ++i)
{
string parname = funparamnames[i];
paramiter = params.find(parname);
if (paramiter != params.end())
{
// Found, set up the parameter
Parameter& param = paramiter->second;
function->setParameter(parname, param.value);
msgss << setw(10) << parname << " = " << param.value << endl;
}
else
{
// Not found and thus quit
stringstream errss;
errss << "Peak profile parameter " << parname << " is not found in input parameters. ";
g_log.error(errss.str());
throw runtime_error(errss.str());
}
} // ENDFOR parameter name
g_log.information(msgss.str());
return;
}
CompositeFunction_sptr IqtFit::createFunction(bool tie) {
CompositeFunction_sptr result(new CompositeFunction);
QString fname;
const int fitType = m_uiForm.cbFitType->currentIndex();
IFunction_sptr func =
FunctionFactory::Instance().createFunction("LinearBackground");
func->setParameter("A0",
m_ffRangeManager->value(m_properties["BackgroundA0"]));
result->addFunction(func);
result->tie("f0.A1", "0");
if (tie) {
result->tie("f0.A0",
m_properties["BackgroundA0"]->valueText().toStdString());
}
if (fitType == 2) {
fname = "StretchedExp";
} else {
fname = "Exponential1";
}
result->addFunction(createUserFunction(fname, tie));
if (fitType == 1 || fitType == 3) {
if (fitType == 1) {
fname = "Exponential2";
} else {
fname = "StretchedExp";
}
result->addFunction(createUserFunction(fname, tie));
}
// Return CompositeFunction object to caller.
result->applyTies();
return result;
}