/** Set parameter fitting setup (boundary, fix or unfix) to function from Parameter map */ void RefinePowderInstrumentParameters2::setFunctionParameterFitSetups(IFunction_sptr function, map<string, Parameter> params) { // 1. Prepare vector<string> funparamnames = m_positionFunc->getParameterNames(); // 2. Set up 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; if (param.fit) { // If fit. Unfix it and set up constraint function->unfix(i); double lowerbound = param.minvalue; double upperbound = param.maxvalue; if (lowerbound >= -DBL_MAX*0.1 || upperbound <= DBL_MAX*0.1) { // If there is a boundary BoundaryConstraint *bc = new BoundaryConstraint(function.get(), parname, lowerbound, upperbound, false); function->addConstraint(bc); } } else { // If fix. function->fix(i); } } 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.notice() << "Fit function:\n" << function->asString() << "\n"; return; }
/** * Add a constraints to the function * @param fun :: The function * @param expr :: The constraint expression. */ void FunctionFactoryImpl::addConstraint(IFunction_sptr fun, const Expression &expr) const { IConstraint *c = ConstraintFactory::Instance().createInitialized(fun.get(), expr); fun->addConstraint(c); }