bool DetectorChooser::Readfile(QStringList& list, std::vector<double>& gainlist, std::vector<double>& corrfactorlist){
//open file for reading
std::ifstream detfile("detectors.txt",std::ios_base::binary);
if (!detfile) {
//complain that file can not be opened
Saysomething mysay(0,"Error","The file detectors.txt could not be opened \n make sure it is in the executable directory");
return false;
}
std::string detname;
std::string gainstring;
std::string corrfactorstring;
//read line by line
const char eol=(char)10;
const char tab='\t';
while (std::getline(detfile,detname,tab)){
#ifdef COMPONENT_DEBUG
std::cout <<"detname:"<<detname<<"\n";
#endif
if (detname.find("%")==std::string::npos){
//a line without % sign found
//split myline in tree parts according to name gain and corrfactor
if (!std::getline(detfile,gainstring,tab)){
//error reading gain
Saysomething mysay(0,"Error","Error reading gain factor");
break;
}
if(!std::getline(detfile,corrfactorstring,eol)){
Saysomething mysay(0,"Error","Error reading correlation factor");
//error reading corrfactor
break;
}
//add these values to the list
#ifdef COMPONENT_DEBUG
std::cout <<"detname:"<<detname<<"gainstring"<<gainstring<<"corrfactorstring"<<corrfactorstring<<"\n";
#endif
char* end;
const double corrfactor=std::strtod( corrfactorstring.c_str(), &end);
const double gainfactor=std::strtod( gainstring.c_str(), &end);
list.append(QString::fromStdString (detname));
gainlist.push_back(gainfactor);
corrfactorlist.push_back(corrfactor);
#ifdef COMPONENT_DEBUG
std::cout <<"detname:"<<detname<<"gain (double)"<<gainfactor<<"corrfactor (double)"<<corrfactor<<"\n";
#endif
}
else{
//a % line was read skip rest of line
std::getline(detfile,corrfactorstring,eol);
}
}
detfile.close();
return true; //succes
}
bool DosLifetimeSpline::checkxsection(){
//check if the cross section component we are pointing to has still the same number
//otherwise update the component number parameter
Model* mymodel=geteelsmodelptr()->getmodel_nonconst();
const int cnr=mymodel->getcomponentindexbypointer(compptr);
if (compptr==NULL){
return false;
}
Parameter* cnrptr= getparameter(degree+3);
if ((cnr==-1)&&(compptr!=NULL)){
//component not found also kill ourselves...
Saysomething mysay(0,"Error","DOS: the component we are pointing to seems to be not present");
delete(this);
//it's over
compptr=NULL;
cnrptr->setchangeable(true); //unlock
cnrptr->setvalue(-1); //update non-existing value
cnrptr->setchangeable(false); //lock
return false;
}
cnrptr->setchangeable(true); //unlock
cnrptr->setvalue(cnr); //update to current value
cnrptr->setchangeable(false); //lock
return true;
}
double MLFitterGSL::iteration(){
//do one itteration
//lock the model so user can not add or remove components during itteration
modelptr->setlocked(true);
//if the model has changed (a new or removed component eg.) create a new solver
if (modelptr->has_changed()){
createmodelinfo(); //this automaticaly calls initfitter() via created_modelinfo()
}
//do an itteration step
try{
const int status=gsl_multifit_fdfsolver_iterate(solver);
#ifdef FITTER_DEBUG
std::cout <<"solver status: "<<gsl_strerror(status)<<"\n";
std::cout <<"chi square/dof: "<<gsl_blas_dnrm2(solver->f)<<"\n";
#endif
this->setstatus(gsl_strerror(status)); //update status info of fitter
convertxtoparam(solver->x);
}
catch(...){
Saysomething mysay(0,"Error","Problem with call to gsl_multifit_fdfsolver_iterate, exit MLFitterGSL",true);
delete(this);
}
//unlock the model so user can add or remove components
modelptr->setlocked(false);
//put the goodness in the goodnessqueue to check for convergence
const double newgoodness= goodness_of_fit();
addgoodness(newgoodness);
return newgoodness;
}
DetectorChooser::DetectorChooser(QWidget *parent, const char *name,Model* mymodel) : QWidget(parent) {
QStringList list;
std::vector<double> gainlist;
std::vector<double> corrfactorlist;
this->Readfile(list,gainlist,corrfactorlist);
bool ok=false;
QString result=QInputDialog::getItem (this,"Detector Chooser","Choose a detector type to use",list,0,false,&ok);
if ( ok ){
//find out which number in the list
//go trough the name list
QStringList::Iterator it;
int i=0;
for (it = list.begin(); it != list.end(); ++it ) {
if (result==*it){
//found! update the gainfactor and the correlation factor
std::string detname=(*it).toStdString () ;
#ifdef COMPONENT_DEBUG
std::cout <<"selected the detector with name:"<<detname<<" occurence number i="<<i<<" gain="<<gainlist[i]<<" corrfactor:"<<corrfactorlist[i]<<"\n";
#endif
if (mymodel==0){
Saysomething mysay(0,"Error","No valid model present, can not set detector without model");
return;
}
mymodel->setdetectorname(detname);
mymodel->setdetectorgain(gainlist[i]);
mymodel->setdetectorcorrfactor(corrfactorlist[i]);
return;
}
i++;
}
if (it==list.end()){
//nothing found
Saysomething mysay(0,"Error","Something went wrong in selecting detector...you can only select existing entries in the detectors.txt file");
return;
}
}
else
// user pressed Cancel
return;
}
Spectrum* Gettopspectrum::getpointer(){
Spectrum* specptr=0;
//determine the top window
QApplication * myapp=qApp;
//myapp->flush(); //repaint everything so the previous window is active
//myapp->flushX(); //repaint everything so the previous window is active
myapp->processEvents();
QObject* topw=myapp->activeWindow();
Graph* topgraph=0;
//check if that window is a Graph
if ((topgraph=(dynamic_cast<Graph*>(topw)))){
//ask the graph for a pointer to its spectrum
specptr= topgraph->getspectrumptr();
}
else{
Saysomething mysay(0,"Error","The front window is not a spectrum graph");
specptr=0;
}
return specptr;
}
void MLFitterGSL::initfitter(){
//do first whatever the fitter wants to do here
Fitter::initfitter();
#ifdef FITTER_DEBUG
std::cout <<"mlfitter_gsl::initfitter called\n";
#endif
//createmodelinfo(); //update number of free parameters etc if a model has changed
const int n=modelptr->getnpoints();
try{
//delete old solver and create new one
if (solver!=0) gsl_multifit_fdfsolver_free (solver);
const gsl_multifit_fdfsolver_type * T = gsl_multifit_fdfsolver_lmsder; //Scaled Levenberg Marquardt
solver= gsl_multifit_fdfsolver_alloc (T,n,modelptr->getnroffreeparameters());
//reallocate memory for parameter vector x and covariance matrix covar
if (initialparameters!=0) gsl_vector_free (initialparameters);
if (covar!=0) gsl_matrix_free (covar);
initialparameters=gsl_vector_calloc (modelptr->getnroffreeparameters()); //allocate space for vector x, containing param values
covar=gsl_matrix_calloc (modelptr->getnroffreeparameters(), modelptr->getnroffreeparameters());
//init the link with the function to be fitted
initfdf();
//load the current parameters in the x vector
initparameters();
//reinit the solver
gsl_multifit_fdfsolver_set(solver,&f,initialparameters);
}
catch(...){
//problems with memory? -> kill this
Saysomething mysay(0,"Error","Unable to allocate memory, exit MLFitterGSL",true);
delete(this);
}
}
DosLifetimeSpline::DosLifetimeSpline(int n,double estart,double dispersion,std::vector<Parameter*>* parameterlistptr)
:Component(n,estart,dispersion),Evector(),Yvector(),b(),c(),d()
{
broadeningtype=QUADRATIC;
//offset=2;
offset=2;
//create spectrum with same energy scale as this
dummy=new Spectrum(n,estart,dispersion);
Plotspec=0;
compptr=0;
if (parameterlistptr==0){
//ask for the degree of the polynomial between 1 and 100
const int min=1;
const int max=1024;
int d=10;
Integerinput myinput(0,"","enter number of points",d,min,max);
degree=size_t(d);
//enter Estart and Estop
Parameter* p1=new Parameter("Estart",estart,1);
p1->interactivevalue("Enter Estart");
p1->setchangeable(false);
this->addparameter(p1);
Parameter* p2=new Parameter("Estop",estart,1);
p2->interactivevalue("Enter Estop");
p2->setchangeable(false);
this->addparameter(p2);
//atomic to calculate the lifetime broadening
Parameter* p3=new Parameter("a",0.4,1);
//choose between different types of broadening
int broadtype=0;
Integerinput* myask=new Integerinput(0, "Lifetime broadening selector","1=Lin.,2=Quadr.,3=Egert.",broadtype,1,3);
(void) myask;
switch(broadtype){
case 1:
p3->setname("Linear coefficient");
break;
case 2:
p3->setname("Quadratic coefficient");
break;
case 3:
p3->setname("Egerton Broadening atomic distance [nm]");
break;
default:
break;
}
p3->setboundaries(0,10.0);
p3->interactivevalue("Enter broadening coefficient (0.0 for linear scale)");
p3->setchangeable(false);
this->addparameter(p3);
//do we want linear or lifetime optimised energy points
linear=false;
if ((p3->getvalue())==0.0){
//only for linear scale we need Estop
//for lieftime broadening Estop is calculated by initenergy
linear=true;
}
for (size_t i=0;i<degree;i++){
std::string name;
std::ostringstream s;
if ((s << "a"<< i)){ //converting an int to a string in c++ style rather than unsafe c-style
// conversion worked
name=s.str();
}
//store parameters to hold the strengths of the basis set L
Parameter* p=new Parameter(name,1.0,1);
p->setboundaries(-1.0,10.0);
//copy this parameter
this->addparameter(p);
}
//now link this to a cross section which needs to be multiplied
Model* mymodel=geteelsmodelptr()->getmodel_nonconst();
int cnr=0;
//create a componentselector here
Componentselector myinput2(0,"","Select the component you want to multiply with",cnr);
//get a pointer to this component and tell it that we are his multiplier
compptr=mymodel->getcomponent(cnr);
set_ismultiplier(true);//important do it here, otherwise multiplierptr is not accepted
if (compptr!=0){
compptr->setmultiplierptr(this);
}
else{
//something went wrong
Saysomething mysay(0,"Error","the component didn't appear to be valid");
throw Componenterr::unable_to_create();
}
//save this number in a parameter
Parameter* p5=new Parameter("compnr",cnr,1);
p5->setchangeable(false);
this->addparameter(p5);
}
else{
//get parameters from a list
for (size_t i=0;i<(parameterlistptr->size());i++){
Parameter* p=(*parameterlistptr)[i];
this->addparameter(p);
}
degree=(parameterlistptr->size())-4;//there are 4 other parameters
//tell the component that we multiply that we are here
Parameter* p5=(*parameterlistptr)[parameterlistptr->size()-1];
Model* mymodel=geteelsmodelptr()->getmodel_nonconst();
const int cnr=int(p5->getvalue());
//get a pointer to this component and tell it that we are his multiplier
compptr=mymodel->getcomponent(cnr);
set_ismultiplier(true);//important do it here, otherwise multiplierptr is not accepted
if (compptr!=0) {
compptr->setmultiplierptr(this);
}
#ifdef COMPONENT_DEBUG
std::cout <<"After linking to the cross section\n";
#endif
} //end of else
#ifdef COMPONENT_DEBUG
std::cout <<"Setting the names etc\n";
#endif
//give a name and description
setname("Fine Structure (DOS) with lifetime (cubic spline)");
setdescription("Fine Structure used in combination with a normal cross-section using Lifetime broadening as an extra prior knowledge");
setcanconvolute(true);
setshifter(false);
set_ismultiplier(true);
/*
for (size_t i=0;i<degree;i++){
//tell that we have a gradient for each point a_i
this->sethasgradient(i+3,true);
}
*/
InitEnergy(); //prepare the energy points that are linked to the paramters
gslinit(); //setup the memory for the gsl fitter
calculate();
setvisible(true);
Plotspec=new Spectrum(Evector.size());
initplotspec();
(this->getgraphptr())->addgraph(Plotspec);
(this->getgraphptr())->setstyle(1,2); //set style of this plot to dots instead of lines
//show the current DOS
//make a new spectrum containing Evector,Yvector
//show an equaliser
this->showequalizer();
}
Mscatter::Mscatter(int n,double estart,double dispersion,std::vector<Parameter*>* parameterlistptr)
:Component(n,estart,dispersion),LLspectrum(n,estart,dispersion)
{
Parameter* p;
//give a name and description
this->setpppc(1.0); //test
this->setname("Multiple scattering (matrix convolution)");
this->setdescription("Convolution of the HL spectrum with LL using matrix convolution.\nThis simulates the effect of multiple scattering\nwhich is an important effect in experimental spectra ");
this->setcanconvolute(false); //meaningless in this case
this->setconvolutor(true); //makes this a special component!
setshifter(false);
//get a const pointer to the HL spectrum (we don't want to change the spectrum)
const Model* mymodel=(geteelsmodelptr())->getmodel();
HLptr=0;
HLptr=mymodel->getconstspectrumptr(); //pointer to the calculated model spectrum
if (HLptr==0) throw Componenterr::unable_to_create();
LLptr=0;
multiLLptr=0;
//get a pointer to a low loss spectrum (MULTI or normal)
//in case no parameter list is given (=a new component)
if (parameterlistptr==0){
//get a pointer to a LL spectrum
QWorkspace* myworkspace= getworkspaceptr();
Getgraphptr* LLgetptr=new Getgraphptr(myworkspace,"","Make sure the LL spectrum is frontmost");
if (LLgetptr==0){
//stop creating this component
Saysomething mysay(0,"Error","the LL spectrum didn't appear to be valid");
throw Componenterr::unable_to_create();
}
LLgetptr->show();
if ( LLgetptr->exec() == QDialog::Accepted ) {
if (LLgetptr->ismulti()){
multiLLptr=LLgetptr->getmultipointer();
if (multiLLptr==0) throw Componenterr::unable_to_create();
//check if both are same size
if (multiLLptr->getnpoints()!=HLptr->getnpoints()){
Saysomething mysay(0,"Error","Both spectra should be of the same size");
throw Componenterr::unable_to_create();
}
}
else{
//convoluting with a singe LL spectrum
LLptr=LLgetptr->getpointer();
if (LLptr==0){
Saysomething mysay(0,"Error","The topmost window was not a spectrum");
throw Componenterr::unable_to_create();
}
}
}else{
//the dialog got closed in another way
throw Componenterr::unable_to_create();
}
delete LLgetptr;
if (multiLLptr==0){
p=new Parameter(LLptr->getfilename(),0.0,false);//store the filename in a dummy parameter
}
else{
std::string fname=multiLLptr->getfilename();
//Saysomething mysay(0,"Error",QString::fromStdString(fname));
p=new Parameter(fname,0.0,false);//store the filename in a dummy parameter
}
}
//in case a parameterlist is given, load the spectrum file and fill in the parameters
else{//get the parameter from the list
p=(*parameterlistptr)[0];
//let spectrum take care of finding the spectrum if the filename is wrong
//the finale filename can be retrieved from the spectrum
//get the edge file via the filename
//first check wether this file can be found
//Fileopener f(0,0,filename);
//filename=f.open();
//filename is now an updated name
//if (filename=="") throw Componenterr::unable_to_create();//cancelled by user
//p.setname(filename); //store this new name in the parameter
//assume that if model is multispectrum also LL will be a multispectrum
if (!mymodel->ismulti()){
loadmsa l;
LLptr = new Spectrum(l,p->getname()); //the filename is stored in the name of p
if (LLptr==0) throw Componenterr::unable_to_create();
}
else{
//ask eelsmodel to load a multispectrum
multiLLptr=(geteelsmodelptr())->openDM(p->getname(),true); //open but silent
if (multiLLptr==0) {
//maybe it was a single spectrum after all...
loadmsa l;
LLptr = new Spectrum(l,p->getname()); //the filename is stored in the name of p
if (LLptr==0) throw Componenterr::unable_to_create();}
}
}
updateLL(); //set the LLptr to the right current spectrum, copy it and and normalise
p->setname(LLptr->getfilename()); //update p to the real filename that was used
this->addparameter(p);
}
