void Line::calculate()
{
//check if any of paramters is changed, if not : don't calculate
const Parameter* p1= getparameter(0);
double A=p1->getvalue();
const Parameter* p2= getparameter(1);
double B=p2->getvalue();
if (p1->changed()||p2->changed())
{
#ifdef COMPONENT_DEBUG
std::cout << "parameters changed calculating power law \n A: " << A << " B:" <<B<< "\n";
#endif
for (unsigned int i=0;i<(this->getnpoints());i++)
{
double en=this->getenergy(i);
double cts=A+B*en;
this->setdatapoint(i,en,cts,0.0);
}
//set parameters as unchanged since last time we calculated
this->setunchanged();
}
else
{
#ifdef COMPONENT_DEBUG
std::cout <<"parameters have not changed, i don't need to calculate again\n";
#endif
}
}
void Lorentz::calculate()
{
//check if any parameter is changed, if not : don't calculate
const Parameter* Epeakptr= getparameter(0);
const double Epeak=Epeakptr->getvalue();
const Parameter* FWHMptr= getparameter(1);
const double FWHM=FWHMptr->getvalue();
const Parameter* heightptr= getparameter(2);
const double height=heightptr->getvalue();
if ((Epeakptr->changed())||(FWHMptr->changed())||(heightptr->changed()))
{
//if these have changed, do new calculation
#ifdef COMPONENT_DEBUG
std::cout << "parameters changed calculating lorentz \n Epeak: " << Epeak << " FWHM:" <<FWHM<<" height: "<<height<< "\n";
#endif
for (unsigned int i=0; i<(this->getnpoints()); i++)
{
const double en=this->getenergy(i);
//arrea is FWHM*pi/2
const double cts=height*(pow(FWHM,2.0)/4.0) * ( 1.0/ ( pow((en-Epeak),2.0) + pow((FWHM/2.0),2.0) ) );
this->setcounts(i,cts);
}
//set parameters as unchanged since last time we calculated
this->setunchanged();
}
else {
//if nothing is changed
#ifdef COMPONENT_DEBUG
std::cout <<"parameters have not changed, i don't need to calculate again\n";
#endif
}
}
double Lorentz::getarea()
{
//return the area under the lorentz peak
const Parameter* FWHMptr= getparameter(1);
double FWHM=FWHMptr->getvalue();
const Parameter* heightptr= getparameter(2);
double height=heightptr->getvalue();
const double pi=acos(-1.0);
const double area=pi*FWHM*height/2.0;
return area;
}
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;
}
Spectrum* Lorentz::getgradient(size_t j) {
//get analytical partial derivative to parameter j in point i
const Parameter* Epeakptr= getparameter(0);
double Epeak=Epeakptr->getvalue();
const Parameter* FWHMptr= getparameter(1);
double FWHM=FWHMptr->getvalue();
const Parameter* heightptr= getparameter(2);
double height=heightptr->getvalue();
#ifdef COMPONENT_DEBUG
std::cout << "calculating the partial derivative in Epeak: " << Epeak << " FWHM:" <<FWHM<<" height: "<<height<< "\n";
#endif
switch(j) {
case 0:
//analytical derivative wrt Epeak
for (unsigned int i=0; i<this->getnpoints(); i++)
{
double en=this->getenergy(i);
double denom=pow((en-Epeak),2.0) + pow((FWHM/2.0),2.0);
gradient.setcounts(i,((height*pow(FWHM,2.0))/2.0)*((en-Epeak)/pow(denom,2.0)));
}
break;
case 1:
//analytical derivative wrt FWHM
for (unsigned int i=0; i<(this->getnpoints()); i++)
{
double en=this->getenergy(i);
double denom=pow((en-Epeak),2.0) + pow((FWHM/2.0),2.0);
gradient.setcounts(i,0.5*(height)*FWHM*(1.0/denom-(pow(FWHM,2.0)/4.0)*(1.0/pow(denom,2.0))));
}
break;
case 2:
//analytical derivative wrt Height
for (unsigned int i=0; i<(this->getnpoints()); i++)
{
double en=this->getenergy(i);
double denom=pow((en-Epeak),2.0) + pow((FWHM/2.0),2.0);
gradient.setcounts(i,(pow(FWHM,2.0)/4.0) * ( 1.0/ denom ));
}
break;
default:
throw Componenterr::bad_index();
}
return &gradient;
}
void DosLifetimeSpline::orderchanged(){
//in case the order of the components changes, update the compnr
const Model* mymodel=geteelsmodelptr()->getmodel();
const int cnr=mymodel->getcomponentindexbypointer(compptr);
Parameter* cnrptr= getparameter(degree+3);
cnrptr->setchangeable(true); //unlock
cnrptr->setvalue(cnr); //update to current value
cnrptr->setchangeable(false); //lock
}
void PearsonIV::calculate()
{
//check if any parameter is changed, if not : don't calculate
const Parameter* lambdaptr= getparameter(0);
const double lambda=lambdaptr->getvalue();
const Parameter* mptr= getparameter(1);
const double m=mptr->getvalue();
const Parameter* nuptr= getparameter(2);
const double nu=nuptr->getvalue();
const Parameter* aptr= getparameter(3);
const double a=aptr->getvalue();
const Parameter* strengthptr= getparameter(4);
const double strength=strengthptr->getvalue();
if ((lambdaptr->changed())||(mptr->changed())||(aptr->changed())||(strengthptr->changed())||(nuptr->changed()))
{
//if these have changed, do new calculation
#ifdef COMPONENT_DEBUG
std::cout << "parameters changed calculating pearsonIV \n lambda: " << lambda << " m:" <<m<<" nu:" <<nu<<" a:" <<a<<" strength: "<<strength<< "\n";
#endif
for (unsigned int i=0;i<(this->getnpoints());i++)
{
const double en=this->getenergy(i);
//const double cts=height*(pow(FWHM,2.0)/4.0) * ( 1.0/ ( pow((en-Epeak),2.0) + pow((FWHM/2.0),2.0) ) );
const double cts=strength*pow(1.0+pow((en-lambda)/a,2.0),-m)*exp(-nu*atan((en-lambda)/a));
this->setcounts(i,cts);
}
//set parameters as unchanged since last time we calculated
this->setunchanged();
}
else{
//if nothing is changed
#ifdef COMPONENT_DEBUG
std::cout <<"parameters have not changed, i don't need to calculate again\n";
#endif
}
}
//inherit show but also redefine what should happen with the dos window
void DosLifetimeSpline::show(){
Component::show(); //do the normal show
initplotspec(); //but also update the points on the plot
//copy energy values in the names of the parameters
//this gives users the possiblity to know at what energy the dos points where taken
for (size_t index=0;index<degree;index++){
Parameter* pointptr=getparameter(index+3);
std::string namestring;
std::ostringstream s;
if (s << "a" << index <<" @ " << Evector[index+offset] <<" eV"){ //converting an int to a string in c++ style rather than unsafe c-style
// conversion worked
namestring=s.str();
}
pointptr->setname(namestring);
}
}
void Eshift::calculate() {
//check if any of parameters is changed, if not : don't calculate
const Parameter* p1= getparameter(0);
const double dE=p1->getvalue();
if (p1->changed()) {
//do the energy shift on the HL spectrum
HLptr->seteshift(dE);
//and on the model
mymodel->seteshift(dE);
//set parameters as unchanged since last time we calculated
this->setunchanged();
}
else
{
#ifdef COMPONENT_DEBUG
std::cout <<"dE=0, no need to calculate the energy shift\n";
#endif
}
}
/* return 0 on everything-is-fine, and non-zero otherwise */
int parseconfig(const char *filename,
struct Configurable *config)
{
int res;
FILE *file;
char filebuffer[512];
bool usedarg;
char *home;
int rc = 0;
if(!filename || !*filename) {
/* NULL or no file name attempts to load .curlrc from the homedir! */
#ifndef __AMIGA__
filename = CURLRC; /* sensible default */
home = homedir(); /* portable homedir finder */
if(home) {
if(strlen(home) < (sizeof(filebuffer) - strlen(CURLRC))) {
snprintf(filebuffer, sizeof(filebuffer),
"%s%s%s", home, DIR_CHAR, CURLRC);
#ifdef WIN32
/* Check if the file exists - if not, try CURLRC in the same
* directory as our executable
*/
file = fopen(filebuffer, "r");
if(file != NULL) {
fclose(file);
filename = filebuffer;
}
else {
/* Get the filename of our executable. GetModuleFileName is
* already declared via inclusions done in setup header file.
* We assume that we are using the ASCII version here.
*/
int n = GetModuleFileName(0, filebuffer, sizeof(filebuffer));
if(n > 0 && n < (int)sizeof(filebuffer)) {
/* We got a valid filename - get the directory part */
char *lastdirchar = strrchr(filebuffer, '\\');
if(lastdirchar) {
size_t remaining;
*lastdirchar = 0;
/* If we have enough space, build the RC filename */
remaining = sizeof(filebuffer) - strlen(filebuffer);
if(strlen(CURLRC) < remaining - 1) {
snprintf(lastdirchar, remaining,
"%s%s", DIR_CHAR, CURLRC);
/* Don't bother checking if it exists - we do
* that later
*/
filename = filebuffer;
}
}
}
}
#else /* WIN32 */
filename = filebuffer;
#endif /* WIN32 */
}
Curl_safefree(home); /* we've used it, now free it */
}
# else /* __AMIGA__ */
/* On AmigaOS all the config files are into env:
*/
filename = "ENV:" CURLRC;
#endif
}
if(strcmp(filename,"-"))
file = fopen(filename, "r");
else
file = stdin;
if(file) {
char *line;
char *aline;
char *option;
char *param;
int lineno = 0;
bool alloced_param;
while(NULL != (aline = my_get_line(file))) {
lineno++;
line = aline;
alloced_param=FALSE;
/* line with # in the first non-blank column is a comment! */
while(*line && ISSPACE(*line))
line++;
switch(*line) {
case '#':
case '/':
case '\r':
case '\n':
case '*':
case '\0':
Curl_safefree(aline);
continue;
}
/* the option keywords starts here */
option = line;
while(*line && !ISSPACE(*line) && !ISSEP(*line))
line++;
/* ... and has ended here */
if(*line)
*line++ = '\0'; /* zero terminate, we have a local copy of the data */
#ifdef DEBUG_CONFIG
fprintf(stderr, "GOT: %s\n", option);
#endif
/* pass spaces and separator(s) */
while(*line && (ISSPACE(*line) || ISSEP(*line)))
line++;
/* the parameter starts here (unless quoted) */
if(*line == '\"') {
/* quoted parameter, do the quote dance */
line++;
param = malloc(strlen(line) + 1); /* parameter */
if(!param) {
/* out of memory */
Curl_safefree(aline);
rc = 1;
break;
}
alloced_param = TRUE;
(void)unslashquote(line, param);
}
else {
param = line; /* parameter starts here */
while(*line && !ISSPACE(*line))
line++;
*line = '\0'; /* zero terminate */
}
if(param && !*param) {
/* do this so getparameter can check for required parameters.
Otherwise it always thinks there's a parameter. */
if(alloced_param)
Curl_safefree(param);
param = NULL;
}
#ifdef DEBUG_CONFIG
fprintf(stderr, "PARAM: \"%s\"\n",(param ? param : "(null)"));
#endif
res = getparameter(option, param, &usedarg, config);
if(param && *param && !usedarg)
/* we passed in a parameter that wasn't used! */
res = PARAM_GOT_EXTRA_PARAMETER;
if(res != PARAM_OK) {
/* the help request isn't really an error */
if(!strcmp(filename, "-")) {
filename = (char *)"<stdin>";
}
if(PARAM_HELP_REQUESTED != res) {
const char *reason = param2text(res);
warnf(config, "%s:%d: warning: '%s' %s\n",
filename, lineno, option, reason);
}
}
if(alloced_param)
Curl_safefree(param);
Curl_safefree(aline);
}
if(file != stdin)
fclose(file);
}
else
rc = 1; /* couldn't open the file */
return rc;
}
double DosLifetimeSpline::Lifetimebroadening(double E){
//calculate Lifetime broadening in eV according to Egerton 2007
//E is the energy in eV above the onset
const double dEmin=this->getdispersion(); //the minimum energy step is the dispersion
const double dEmax=100.0; //maximum lifetime broadening, more doesn't make sense
const double epsilon=E;
const double h=4.13566733e-15; //eV/s
const double m0=9.10938188e-31; //electron mass in kg
const double e=1.60217646e-19; //electron charge (C)
const double m=m0;
const Parameter* aptr=getparameter(2);
const double a=aptr->getvalue(); //atomic diameter in nm
double lambda=0.0;
double v=0.1;
double tau=0.0;
const double pi=acos(-1.0);
const Parameter* Estartptr= getparameter(0);
const double Estart=Estartptr->getvalue();
const Parameter* Estopptr= getparameter(1);
const double Estop=Estopptr->getvalue();
//#ifdef COMPONENT_DEBUG
// std::cout <<"Z="<<Z<<" rho="<<rho<<" \n";
//#endif
broadeningtype=CONSTANT;
if (aptr->getname()=="Linear coefficient") broadeningtype=LINEAR;
if (aptr->getname()=="Quadratic coefficient") broadeningtype=QUADRATIC;
if (aptr->getname()=="Egerton Broadening atomic distance [nm]") broadeningtype=EGERTON;
if (a==0.0) broadeningtype=CONSTANT;
double dE;
switch(broadeningtype)
{
case EGERTON:
//Egerton broadening
if (epsilon>this->getdispersion()){
v=sqrt(2.0*e*epsilon/m); //speed
}
lambda=538.0*fabs(a)*pow(fabs(epsilon),-2.0)+0.41*pow(fabs(a),3.0/2.0)*sqrt(fabs(epsilon));
tau=lambda*1e-9/v; //lifetime in seconds
//#ifdef COMPONENT_DEBUG
//std::cout <<"v="<<v<<" tau="<<tau<<" lambda"<<lambda<<" a="<<a<<" \n";
//#endif
dE=h/(2.0*pi*tau);
//if dE lower than dispersion or E< Eonset
break;
case QUADRATIC:
//Quadratic broadening
dE=fabs(a)*pow(fabs(epsilon),2.0); // a simple quadratic broadening
//check for infinity
break;
case LINEAR:
//broadening linear with energy above onset
dE=fabs(a)*fabs(epsilon); // a simple linear broadening
break;
case CONSTANT:
default:
dE=(Estart-Estop)/degree;
break;
}
if (dE<dEmin){
dE=dEmin;
}
if (E<=0){
dE=dEmin;
}
if (dE>dEmax){
dE=dEmax;
}
//#ifdef COMPONENT_DEBUG
//std::cout <<"Returning a lifetime broadening of dE="<<dE<<"for energy E="<<E<<"\n";
//#endif
return dE;
}
void DosLifetimeSpline::calculate()
{
if (!checkxsection()) return; //if a problem with the cross section we are pointing to, stop calculating
//get the parameters
const Parameter* Estartptr= getparameter(0);
const double Estart=Estartptr->getvalue();
const Parameter* Estopptr= getparameter(1);
const double Estop=Estopptr->getvalue();
const Parameter* aptr= getparameter(2);
//calculate the DOS
Parameter* pointptr=0; //pointer to a datapoint in the list
bool changes=false;
for (size_t index=0;index<degree;index++){
pointptr=getparameter(index+3);
changes=(changes||pointptr->changed()); //see if any of the data point parameters has changed
}
if ((Estartptr->changed()||Estopptr->changed())||aptr->changed()){
//setup a new energy grid
InitEnergy();
changes=true;
}
if (changes){
//if anything changed, we need to calculate, if not we leave without calculating
#ifdef COMPONENT_DEBUG
std::cout << "parameters changed calculating DOS \n degree: " << degree <<"\n";
std::cout << "Estart: " << Estart <<"\n";
std::cout << "Estop: " << Estop <<"\n";
for (size_t index=0;index<degree;index++){
std::cout<< " a" <<index<<" :"<<getparameter(index+3)->getvalue()<< "\n";
}
#endif
//copy the parameter values in the spline vectors
copyparameters();
//calculate the spline parameters
dospline();
//do the evaluation
for (size_t i=0; i<this->getnpoints();i++){
const double en=this->getenergy(i);
double cts=0.0;
if ((en>Estart)&(en<Estop)){
cts=seval(en);
}
if (en<=Estart){
cts=0.0;
}
if (en>=Estop){
cts=1.0;
}
this->setcounts(i,cts);
}
//set parameters as unchanged since last time we calculated
this->setunchanged();
}
else{
#ifdef COMPONENT_DEBUG
std::cout <<"parameters have not changed, i don't need to calculate again\n";
#endif
}
}
/* return 0 on everything-is-fine, and non-zero otherwise */
int parseconfig(const char *filename, struct GlobalConfig *global)
{
FILE *file;
char filebuffer[512];
bool usedarg = FALSE;
int rc = 0;
struct OperationConfig *operation = global->first;
if(!filename || !*filename) {
/* NULL or no file name attempts to load .curlrc from the homedir! */
#ifndef __AMIGA__
char *home = homedir(); /* portable homedir finder */
filename = CURLRC; /* sensible default */
if(home) {
if(strlen(home) < (sizeof(filebuffer) - strlen(CURLRC))) {
msnprintf(filebuffer, sizeof(filebuffer),
"%s%s%s", home, DIR_CHAR, CURLRC);
#ifdef WIN32
/* Check if the file exists - if not, try CURLRC in the same
* directory as our executable
*/
file = fopen(filebuffer, FOPEN_READTEXT);
if(file != NULL) {
fclose(file);
filename = filebuffer;
}
else {
/* Get the filename of our executable. GetModuleFileName is
* already declared via inclusions done in setup header file.
* We assume that we are using the ASCII version here.
*/
int n = GetModuleFileNameA(0, filebuffer, sizeof(filebuffer));
if(n > 0 && n < (int)sizeof(filebuffer)) {
/* We got a valid filename - get the directory part */
char *lastdirchar = strrchr(filebuffer, '\\');
if(lastdirchar) {
size_t remaining;
*lastdirchar = 0;
/* If we have enough space, build the RC filename */
remaining = sizeof(filebuffer) - strlen(filebuffer);
if(strlen(CURLRC) < remaining - 1) {
msnprintf(lastdirchar, remaining,
"%s%s", DIR_CHAR, CURLRC);
/* Don't bother checking if it exists - we do that later */
filename = filebuffer;
}
}
}
}
#else /* WIN32 */
filename = filebuffer;
#endif /* WIN32 */
}
Curl_safefree(home); /* we've used it, now free it */
}
# else /* __AMIGA__ */
/* On AmigaOS all the config files are into env:
*/
filename = "ENV:" CURLRC;
#endif
}
if(strcmp(filename, "-"))
file = fopen(filename, FOPEN_READTEXT);
else
file = stdin;
if(file) {
char *line;
char *aline;
char *option;
char *param;
int lineno = 0;
bool dashed_option;
while(NULL != (aline = my_get_line(file))) {
int res;
bool alloced_param = FALSE;
lineno++;
line = aline;
/* line with # in the first non-blank column is a comment! */
while(*line && ISSPACE(*line))
line++;
switch(*line) {
case '#':
case '/':
case '\r':
case '\n':
case '*':
case '\0':
Curl_safefree(aline);
continue;
}
/* the option keywords starts here */
option = line;
/* the option starts with a dash? */
dashed_option = option[0]=='-'?TRUE:FALSE;
while(*line && !ISSPACE(*line) && !ISSEP(*line, dashed_option))
line++;
/* ... and has ended here */
if(*line)
*line++ = '\0'; /* zero terminate, we have a local copy of the data */
#ifdef DEBUG_CONFIG
fprintf(stderr, "GOT: %s\n", option);
#endif
/* pass spaces and separator(s) */
while(*line && (ISSPACE(*line) || ISSEP(*line, dashed_option)))
line++;
/* the parameter starts here (unless quoted) */
if(*line == '\"') {
/* quoted parameter, do the quote dance */
line++;
param = malloc(strlen(line) + 1); /* parameter */
if(!param) {
/* out of memory */
Curl_safefree(aline);
rc = 1;
break;
}
alloced_param = TRUE;
(void)unslashquote(line, param);
}
else {
param = line; /* parameter starts here */
while(*line && !ISSPACE(*line))
line++;
if(*line) {
*line = '\0'; /* zero terminate */
/* to detect mistakes better, see if there's data following */
line++;
/* pass all spaces */
while(*line && ISSPACE(*line))
line++;
switch(*line) {
case '\0':
case '\r':
case '\n':
case '#': /* comment */
break;
default:
warnf(operation->global, "%s:%d: warning: '%s' uses unquoted "
"white space in the line that may cause side-effects!\n",
filename, lineno, option);
}
}
if(!*param)
/* do this so getparameter can check for required parameters.
Otherwise it always thinks there's a parameter. */
param = NULL;
}
#ifdef DEBUG_CONFIG
fprintf(stderr, "PARAM: \"%s\"\n",(param ? param : "(null)"));
#endif
res = getparameter(option, param, &usedarg, global, operation);
if(!res && param && *param && !usedarg)
/* we passed in a parameter that wasn't used! */
res = PARAM_GOT_EXTRA_PARAMETER;
if(res == PARAM_NEXT_OPERATION) {
if(operation->url_list && operation->url_list->url) {
/* Allocate the next config */
operation->next = malloc(sizeof(struct OperationConfig));
if(operation->next) {
/* Initialise the newly created config */
config_init(operation->next);
/* Copy the easy handle */
operation->next->easy = global->easy;
/* Set the global config pointer */
operation->next->global = global;
/* Update the last operation pointer */
global->last = operation->next;
/* Move onto the new config */
operation->next->prev = operation;
operation = operation->next;
}
else
res = PARAM_NO_MEM;
}
}
if(res != PARAM_OK && res != PARAM_NEXT_OPERATION) {
/* the help request isn't really an error */
if(!strcmp(filename, "-")) {
filename = "<stdin>";
}
if(res != PARAM_HELP_REQUESTED &&
res != PARAM_MANUAL_REQUESTED &&
res != PARAM_VERSION_INFO_REQUESTED &&
res != PARAM_ENGINES_REQUESTED) {
const char *reason = param2text(res);
warnf(operation->global, "%s:%d: warning: '%s' %s\n",
filename, lineno, option, reason);
}
}
if(alloced_param)
Curl_safefree(param);
Curl_safefree(aline);
}
if(file != stdin)
fclose(file);
}
else
rc = 1; /* couldn't open the file */
return rc;
}
//-----------------------------------------------------------------------------------------
void gsBEncoder::getParameterDisplay (VstInt32 index, char* text)
{
double val;
getparameter(gen, index, &val);
float2string((float)val, text, kVstMaxParamStrLen);
}
//-----------------------------------------------------------------------------------------
float gsBEncoder::getParameter (VstInt32 index)
{
double val;
getparameter(gen, index, &val);
return (float)val;
}
void Plasmon::calculate()
{
//check if any of paramters is changed, if not : don't calculate
const Parameter* EZLptr= getparameter(0);
const double EZL=EZLptr->getvalue();
const Parameter* fwhmZLptr= getparameter(1);
const double fwhmZL=fwhmZLptr->getvalue();
const Parameter* heightZLptr= getparameter(2);
const double heightZL=heightZLptr->getvalue();
const Parameter* EPptr= getparameter(3);
const double EP=EPptr->getvalue();
const Parameter* fwhmPptr= getparameter(4);
const double fwhmP=fwhmPptr->getvalue();
const Parameter* tlambdaptr= getparameter(5);
const double tlambda=tlambdaptr->getvalue();
const Parameter* dnoiseptr= getparameter(6);
const double dnoise=dnoiseptr->getvalue();
const bool changes=EZLptr->changed()||fwhmZLptr->changed()||heightZLptr->changed()||EPptr->changed()||fwhmPptr->changed()||tlambdaptr->changed()||dnoiseptr->changed();
if (changes)
{
#ifdef COMPONENT_DEBUG
std::cout << "parameters changed calculating plasmon model again \n";
#endif
//const double en0=this->getenergy(0);
//set parameters of all lorentz peaks
//the ZL peak
Parameter* p=peaklist[0]->getparameter(0);
p->setvalue(EZL);
p=peaklist[0]->getparameter(1);
p->setvalue(fwhmZL);
p=peaklist[0]->getparameter(2);
p->setvalue(heightZL);
peaklist[0]->calculate();
const double ZLarea=peaklist[0]->getarea();
//the plasmon peaks
const int nrofpeaks=peaklist.size();
for (int index=1;index<nrofpeaks;index++){
Lorentz* lptr=peaklist[index];
Parameter* posptr=lptr->getparameter(0);
Parameter* fwhmptr=lptr->getparameter(1);
Parameter* heightptr=lptr->getparameter(2);
posptr->setvalue(EZL+EP*double(index)); //the plasmon position
fwhmptr->setvalue(fwhmP);
heightptr->setvalue(1.0); //set to one first to get area of a lorentz with these parameters
lptr->calculate();
const double area=lptr->getarea();
//calculate height
double height=ZLarea/(area*poissonfraction(tlambda,index));
heightptr->setvalue(height); //now set to right height
lptr->calculate();
}
//add them to get the total model
for (unsigned int i=0;i<(this->getnpoints());i++)
{
//double en=this->getenergy(i);
double cts=dnoise+peaklist[0]->getcounts(i);
for (int index=1;index<nrofpeaks;index++){
cts+=peaklist[index]->getcounts(i);
}
this->setcounts(i,cts);
}
//set parameters as unchanged since last time we calculated
this->setunchanged();
}
else
{
#ifdef COMPONENT_DEBUG
std::cout <<"parameters have not changed, i don't need to calculate again\n";
#endif
}
}
void SpinsplitEdge::calculate(){
//get the parameters
const Parameter* E0ptr= getparameter(0);
const double E0=E0ptr->getvalue();
const Parameter* Ekptr= getparameter(1);
const double Ek=Ekptr->getvalue();
const Parameter* thetastepptr= getparameter(3);
const double thetasteps=thetastepptr->getvalue();
const Parameter* thetamaxptr= getparameter(4);
const double thetamax=thetamaxptr->getvalue();
const Parameter* strengthptr= getparameter(5);
const double strength=strengthptr->getvalue();
const Parameter* Esplitptr= getparameter(6);
const double Esplit=Esplitptr->getvalue();
const Parameter* ratioptr= getparameter(7);
const double ratio=ratioptr->getvalue();
const Parameter* wstrengthptr= getparameter(8);
const double wstrength=wstrengthptr->getvalue();
const Parameter* fwhmptr= getparameter(9);
const double fwhm=fwhmptr->getvalue();
const Parameter* gapstartptr= getparameter(10);
const double gapstart=gapstartptr->getvalue();
const Parameter* gapendptr= getparameter(11);
const double gapend=gapendptr->getvalue();
#ifdef COMPONENT_DEBUG
std::cout<<"Calculating spin split edge\n";
std::cout<<"E0="<<E0<<" Ek="<<Ek<<" thetasteps="<<thetasteps<<" thetamax="<<thetamax<<"strength="<<strength<<"\n";
std::cout<<"Esplit="<<Esplit<<" ratio="<<ratio<<" wstrength="<<wstrength<<" fwhm="<<fwhm<<" gapstart="<<gapstart<<" gapend="<<gapend<<"\n";
#endif
//recalculate subparts if parameters have changed
//update the internal parameters for these models
if (E0ptr->changed()) (continuum1->getparameter(0))->setvalue(E0);
if (Ekptr->changed()) (continuum1->getparameter(1))->setvalue(Ek);
if (thetastepptr->changed()) (continuum1->getparameter(3))->setvalue(thetasteps);
if (thetamaxptr->changed()) (continuum1->getparameter(4))->setvalue(thetamax);
if (strengthptr->changed()||ratioptr->changed()) (continuum1->getparameter(5))->setvalue(strength/(1.0+ratio));
if (E0ptr->changed()) (continuum2->getparameter(0))->setvalue(E0);
if (Ekptr->changed()||Esplitptr->changed()) (continuum2->getparameter(1))->setvalue(Ek+Esplit);
if (thetastepptr->changed()) (continuum2->getparameter(3))->setvalue(thetasteps);
if (thetamaxptr->changed()) (continuum2->getparameter(4))->setvalue(thetamax);
if (strengthptr->changed()||ratioptr->changed()) (continuum2->getparameter(5))->setvalue(strength*ratio/(1.0+ratio));
continuum1->calculate();
continuum2->calculate();
if (Ekptr->changed()) (whiteline1->getparameter(0))->setvalue(Ek);
if (fwhmptr->changed()) (whiteline1->getparameter(1))->setvalue(fwhm);
if (wstrengthptr->changed()) (whiteline1->getparameter(2))->setvalue(wstrength);
if (Ekptr->changed()||Esplitptr->changed()) (whiteline2->getparameter(0))->setvalue(Ek+Esplit);
if (fwhmptr->changed()) (whiteline2->getparameter(1))->setvalue(fwhm);
if (wstrengthptr->changed()||ratioptr->changed()) (whiteline2->getparameter(2))->setvalue(wstrength*ratio);
whiteline1->calculate();
whiteline2->calculate();
//add up the different components
for (size_t i=0;i<this->getnpoints();i++){
double cts=0.0;
const double en=this->getenergy(i);
if ((Ek+Esplit+gapstart<=en)&&(Ek+Esplit+gapend>en)){
//continuum2 gap
cts=continuum1->getcounts(i)+whiteline1->getcounts(i)+whiteline2->getcounts(i);
}
else
{
if ((Ek+gapstart<=en)&&(Ek+gapend>en)){
//continuum1 gap
cts=continuum2->getcounts(i)+whiteline1->getcounts(i)+whiteline2->getcounts(i);
}
else{
//no gap
cts=continuum1->getcounts(i)+continuum2->getcounts(i)+whiteline1->getcounts(i)+whiteline2->getcounts(i);
}
}
this->setcounts(i,cts);
}
this->setunchanged();
return;
}
