LMU/musrfit
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first implementation of userFcn concept. Not yet tested

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This commit is contained in:
nemu 2008-06-05 07:32:57 +00:00
parent bb49da5b4a
commit 6159700e85
4 changed files with 74 additions and 52 deletions
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6
src/ToDo.txt
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@ -56,19 +56,19 @@ short term:
* something is wrong with lifetimecorrection plot of musrview (up shifted data) **FIXED** 08-05-16 * something is wrong with lifetimecorrection plot of musrview (up shifted data) **FIXED** 08-05-16
* implement access to user-function, i.e. functions not
defined within musrfit, using the ROOT dictionary feature
to look for them and use them. **UNDER WAY, NOT TESTED YET** 08-06-05
--------------------- ---------------------
intermediate term: intermediate term:
--------------------- ---------------------
* implement access to user-function, i.e. functions not
* start writing docu, i.e. transferring WKM doc from German -> English and * start writing docu, i.e. transferring WKM doc from German -> English and
describe new features with examples! describe new features with examples!
* introduce error numbers with corresponding docu/explanation in the latex-docu. * introduce error numbers with corresponding docu/explanation in the latex-docu.
* implement RRF stuff * implement RRF stuff
* implement NonMuSR stuff * implement NonMuSR stuff
defined within musrfit, using the ROOT dictionary feature
to look for them and use them.
* think about if it is worth to modify wkm in order to read * think about if it is worth to modify wkm in order to read
the new msr-files, so that wkmview can be used for an intermediate the new msr-files, so that wkmview can be used for an intermediate
time. time.

5
src/classes/Makefile.PMusr
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@ -94,6 +94,7 @@ OBJS += PTheory.o
OBJS += PFitterFcn.o OBJS += PFitterFcn.o
OBJS += PFitter.o OBJS += PFitter.o
OBJS += PMusrCanvas.o PMusrCanvasDict.o OBJS += PMusrCanvas.o PMusrCanvasDict.o
OBJS += PUserFcnBase.o PUserFcnBaseDict.o
EXTOBJS = EXTOBJS =
EXTOBJS += MuSR_td_PSI_bin.o EXTOBJS += MuSR_td_PSI_bin.o
@ -132,6 +133,10 @@ PMusrCanvasDict.cpp: ../include/PMusrCanvas.h ../include/PMusrCanvasLinkDef.h
@echo "Generating dictionary $@..." @echo "Generating dictionary $@..."
rootcint -v -f $@ -c -p $^ rootcint -v -f $@ -c -p $^
PUserFcnBaseDict.cpp: ../include/PUserFcnBase.h ../include/PUserFcnBaseLinkDef.h
@echo "Generating dictionary $@..."
rootcint -v -f $@ -c -p $^
install: all install: all
@echo "Installing shared lib: libPMusr.so ( you must be root ;-) )" @echo "Installing shared lib: libPMusr.so ( you must be root ;-) )"
ifeq ($(OS),LINUX) ifeq ($(OS),LINUX)

70
src/classes/PTheory.cpp
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@ -262,12 +262,13 @@ PTheory::PTheory(PMsrHandler *msrInfo, unsigned int runNo, const bool hasParent)
fValid = false; fValid = false;
} else { // invoke user function object } else { // invoke user function object
fUserFcn = 0; fUserFcn = 0;
fUserFcn = TClass::GetClass(fUserFcnClassName.Data())->New(); fUserFcn = (PUserFcnBase*)TClass::GetClass(fUserFcnClassName.Data())->New();
cout << endl << ">> fUserFcn = " << fUserFcn; cout << endl << ">> fUserFcn = " << fUserFcn;
if (fUserFcn == 0) { if (fUserFcn == 0) {
cout << endl << "**ERROR**: PTheory: user function object could not be invoked. See line no " << line->fLineNo; cout << endl << "**ERROR**: PTheory: user function object could not be invoked. See line no " << line->fLineNo;
fValid = false; fValid = false;
} else { // get the pointer to the user function evaluation routine } else { // user function valid, hence expand the fUserParam vector to the proper size
fUserParam.resize(fParamNo.size());
} }
} }
} }
@ -290,6 +291,7 @@ PTheory::~PTheory()
//cout << endl << "PTheory::~PTheory() ..." << endl; //cout << endl << "PTheory::~PTheory() ..." << endl;
fParamNo.clear(); fParamNo.clear();
fUserParam.clear();
if (fMul) { if (fMul) {
delete fMul; delete fMul;
@ -307,9 +309,8 @@ PTheory::~PTheory()
} }
if (fUserFcn) { if (fUserFcn) {
/* delete fUserFcn;
fUserFcn = 0; fUserFcn = 0;
*/
} }
} }
@ -347,7 +348,7 @@ bool PTheory::IsValid()
* \param t * \param t
* \param paramValues * \param paramValues
*/ */
double PTheory::Func(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::Func(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
if (fMul) { if (fMul) {
@ -714,7 +715,7 @@ void PTheory::MakeCleanAndTidyTheoryBlock(PMsrLines *fullTheoryBlock)
* \param paramValues is an array of parameter values [par1, par2, ..., parX1, * \param paramValues is an array of parameter values [par1, par2, ..., parX1,
* internalPar1, ..., internalParX2, map1, ..., mapX3, fun1, ..., funX4] * internalPar1, ..., internalParX2, map1, ..., mapX3, fun1, ..., funX4]
*/ */
double PTheory::Asymmetry(const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::Asymmetry(const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
double asym; double asym;
@ -740,7 +741,7 @@ double PTheory::Asymmetry(const vector<double>& paramValues, const vector<double
* \param paramValues parameter values, here only one, namely the depolarization * \param paramValues parameter values, here only one, namely the depolarization
* rate \f$\lambda\f$ in \f$(1/\mu\mathrm{s})\f$ * rate \f$\lambda\f$ in \f$(1/\mu\mathrm{s})\f$
*/ */
double PTheory::SimpleExp(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::SimpleExp(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
double lambda; double lambda;
@ -761,7 +762,7 @@ double PTheory::SimpleExp(register double t, const vector<double>& paramValues,
* \param t time in \f$(\mu\mathrm{s})\f$ * \param t time in \f$(\mu\mathrm{s})\f$
* \param paramValues * \param paramValues
*/ */
double PTheory::GeneralExp(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::GeneralExp(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
double val[2]; double val[2];
@ -784,7 +785,7 @@ double PTheory::GeneralExp(register double t, const vector<double>& paramValues,
* \param t time in \f$(\mu\mathrm{s})\f$ * \param t time in \f$(\mu\mathrm{s})\f$
* \param paramValues * \param paramValues
*/ */
double PTheory::SimpleGauss(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::SimpleGauss(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
double sigma; double sigma;
@ -805,7 +806,7 @@ double PTheory::SimpleGauss(register double t, const vector<double>& paramValues
* \param t time in \f$(\mu\mathrm{s})\f$ * \param t time in \f$(\mu\mathrm{s})\f$
* \param paramValues * \param paramValues
*/ */
double PTheory::StaticGaussKT(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::StaticGaussKT(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
double sigma; double sigma;
@ -828,7 +829,7 @@ double PTheory::StaticGaussKT(register double t, const vector<double>& paramValu
* \param t time in \f$(\mu\mathrm{s})\f$ * \param t time in \f$(\mu\mathrm{s})\f$
* \param paramValues * \param paramValues
*/ */
double PTheory::StaticKTLF(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::StaticKTLF(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
double val[2]; // frequency, damping double val[2]; // frequency, damping
@ -868,7 +869,7 @@ double PTheory::StaticKTLF(register double t, const vector<double>& paramValues,
* \param t time in \f$(\mu\mathrm{s})\f$ * \param t time in \f$(\mu\mathrm{s})\f$
* \param paramValues * \param paramValues
*/ */
double PTheory::DynamicKTLF(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::DynamicKTLF(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
return 0.0; return 0.0;
} }
@ -880,7 +881,7 @@ double PTheory::DynamicKTLF(register double t, const vector<double>& paramValues
* \param t time in \f$(\mu\mathrm{s})\f$ * \param t time in \f$(\mu\mathrm{s})\f$
* \param paramValues * \param paramValues
*/ */
double PTheory::CombiLGKT(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::CombiLGKT(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
double val[2]; double val[2];
@ -907,7 +908,7 @@ double PTheory::CombiLGKT(register double t, const vector<double>& paramValues,
* \param t time in \f$(\mu\mathrm{s})\f$ * \param t time in \f$(\mu\mathrm{s})\f$
* \param paramValues * \param paramValues
*/ */
double PTheory::SpinGlass(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::SpinGlass(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
if (paramValues[fParamNo[0]] == 0.0) if (paramValues[fParamNo[0]] == 0.0)
return 1.0; return 1.0;
@ -940,7 +941,7 @@ double PTheory::SpinGlass(register double t, const vector<double>& paramValues,
* \param t time in \f$(\mu\mathrm{s})\f$ * \param t time in \f$(\mu\mathrm{s})\f$
* \param paramValues * \param paramValues
*/ */
double PTheory::RandomAnisotropicHyperfine(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::RandomAnisotropicHyperfine(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
double val[2]; double val[2];
@ -967,7 +968,7 @@ double PTheory::RandomAnisotropicHyperfine(register double t, const vector<doubl
* \param t time in \f$(\mu\mathrm{s})\f$ * \param t time in \f$(\mu\mathrm{s})\f$
* \param paramValues * \param paramValues
*/ */
double PTheory::Abragam(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::Abragam(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
double val[2]; double val[2];
@ -993,7 +994,7 @@ double PTheory::Abragam(register double t, const vector<double>& paramValues, co
* \param t time in \f$(\mu\mathrm{s})\f$ * \param t time in \f$(\mu\mathrm{s})\f$
* \param paramValues * \param paramValues
*/ */
double PTheory::InternalField(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::InternalField(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
double val[4]; // phase, freq, transversal rate, longitudinal rate double val[4]; // phase, freq, transversal rate, longitudinal rate
@ -1019,7 +1020,7 @@ double PTheory::InternalField(register double t, const vector<double>& paramValu
* \param t time in \f$(\mu\mathrm{s})\f$ * \param t time in \f$(\mu\mathrm{s})\f$
* \param paramValues * \param paramValues
*/ */
double PTheory::TFCos(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::TFCos(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
double val[2]; double val[2];
@ -1042,7 +1043,7 @@ double PTheory::TFCos(register double t, const vector<double>& paramValues, cons
* \param t time in \f$(\mu\mathrm{s})\f$ * \param t time in \f$(\mu\mathrm{s})\f$
* \param paramValues * \param paramValues
*/ */
double PTheory::Bessel(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::Bessel(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
double val[2]; double val[2];
@ -1065,7 +1066,7 @@ double PTheory::Bessel(register double t, const vector<double>& paramValues, con
* \param t time in \f$(\mu\mathrm{s})\f$ * \param t time in \f$(\mu\mathrm{s})\f$
* \param paramValues * \param paramValues
*/ */
double PTheory::InternalBessel(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::InternalBessel(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
double val[4]; // phase, frequency, Trate, Lrate double val[4]; // phase, frequency, Trate, Lrate
@ -1091,7 +1092,7 @@ double PTheory::InternalBessel(register double t, const vector<double>& paramVal
* \param t time in \f$(\mu\mathrm{s})\f$ * \param t time in \f$(\mu\mathrm{s})\f$
* \param paramValues * \param paramValues
*/ */
double PTheory::SkewedGauss(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::SkewedGauss(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
double val[4]; // phase, freq, sigma-, sigma+ double val[4]; // phase, freq, sigma-, sigma+
double skg; double skg;
@ -1138,18 +1139,33 @@ double PTheory::SkewedGauss(register double t, const vector<double>& paramValues
* \param t time in \f$(\mu\mathrm{s})\f$ * \param t time in \f$(\mu\mathrm{s})\f$
* \param paramValues * \param paramValues
*/ */
double PTheory::UserFcn(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const double PTheory::UserFcn(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const
{ {
static bool first = true; static bool first = true;
if (first) { if (first) {
first = false; cout << endl << ">> UserFcn: fParamNo.size()=" << fParamNo.size() << ", fUserParam.size()=" << fUserParam.size();
cout << endl << ">> UserFcn: fParamNo.size()=" << fParamNo.size();
for (unsigned int i=0; i<fParamNo.size(); i++) { for (unsigned int i=0; i<fParamNo.size(); i++) {
cout << endl << ">> " << i << ": " << fParamNo[i]+1; cout << endl << ">> " << i << ": " << fParamNo[i]+1;
} }
cout << endl; cout << endl;
} }
return 0.0; // check if FUNCTIONS are used
for (unsigned int i=0; i<fUserParam.size(); i++) {
if (fParamNo[i] < MSR_PARAM_FUN_OFFSET) { // parameter or resolved map
fUserParam[i] = paramValues[fParamNo[i]];
} else { // function
fUserParam[i] = funcValues[fParamNo[i]-MSR_PARAM_FUN_OFFSET];
}
}
if (first) {
first = false;
for (unsigned int i=0; i<fUserParam.size(); i++) {
cout << endl << "-> " << i << ": " << fUserParam[i];
}
cout << endl;
}
return (*fUserFcn)(t, fUserParam);
} }

45
src/include/PTheory.h
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@ -32,12 +32,12 @@
#ifndef _PTHEORY_H_ #ifndef _PTHEORY_H_
#define _PTHEORY_H_ #define _PTHEORY_H_
#include <vector>
#include <TString.h> #include <TString.h>
#include <TF1.h> #include <TF1.h>
#include "PMusr.h"
#include "PMsrHandler.h" #include "PMsrHandler.h"
#include "PUserFcnBase.h"
// #include <gsl_sf_hyperg.h> // #include <gsl_sf_hyperg.h>
// //
@ -178,29 +178,29 @@ class PTheory
virtual ~PTheory(); virtual ~PTheory();
virtual bool IsValid(); virtual bool IsValid();
virtual double Func(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double Func(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
private: private:
virtual int SearchDataBase(TString name); virtual int SearchDataBase(TString name);
virtual void MakeCleanAndTidyTheoryBlock(PMsrLines* fullTheoryBlock); virtual void MakeCleanAndTidyTheoryBlock(PMsrLines* fullTheoryBlock);
virtual double Asymmetry(const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double Asymmetry(const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
virtual double SimpleExp(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double SimpleExp(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
virtual double GeneralExp(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double GeneralExp(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
virtual double SimpleGauss(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double SimpleGauss(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
virtual double StaticGaussKT(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double StaticGaussKT(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
virtual double StaticKTLF(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double StaticKTLF(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
virtual double DynamicKTLF(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double DynamicKTLF(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
virtual double CombiLGKT(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double CombiLGKT(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
virtual double SpinGlass(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double SpinGlass(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
virtual double RandomAnisotropicHyperfine(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double RandomAnisotropicHyperfine(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
virtual double Abragam(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double Abragam(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
virtual double InternalField(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double InternalField(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
virtual double TFCos(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double TFCos(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
virtual double Bessel(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double Bessel(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
virtual double InternalBessel(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double InternalBessel(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
virtual double SkewedGauss(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double SkewedGauss(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
virtual double UserFcn(register double t, const vector<double>& paramValues, const vector<double>& funcValues) const; virtual double UserFcn(register double t, const PDoubleVector& paramValues, const PDoubleVector& funcValues) const;
// variables // variables
bool fValid; bool fValid;
@ -214,8 +214,9 @@ class PTheory
// TString fUserFunPreParsed; // TString fUserFunPreParsed;
TF1 *fStaticKTLFFunc; TF1 *fStaticKTLFFunc;
TString fUserFcnClassName; ///< name of the user function class for within root TString fUserFcnClassName; ///< name of the user function class for within root
void *fUserFcn; ///< pointer to the user function object PUserFcnBase *fUserFcn; ///< pointer to the user function object
mutable PDoubleVector fUserParam; ///< vector holding the resolved user function parameters, i.e. map and function resolved.
PMsrHandler *fMsrInfo; PMsrHandler *fMsrInfo;
}; };