LMU/musrfit
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Added a few uncommon options to musrfit - further testing is required

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This commit is contained in:
Bastian M. Wojek 2009-09-08 16:01:23 +00:00
parent 855c2f72a3
commit 575856ba8f
4 changed files with 108 additions and 33 deletions
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2
src/classes/PMsr2Data.cpp
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@ -380,7 +380,7 @@ bool PMsr2Data::PrepareNewInputFile(unsigned int tempRun) const
} else {
cout << endl;
cout << ">> msr2data: **WARNING** The template run file number does not match the \"file index\"" << endl;
cout << ">> msr2data: **WARNING** Unexpected things may happen... (for sure)" << endl;
cout << ">> msr2data: **WARNING** Unexpected things will happen... (for sure)" << endl;
}
}
out << line << endl;

3
src/external/libGapIntegrals/INSTALL vendored
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@ -8,7 +8,7 @@ Installation of the musrfit-plugin "libGapIntegrals.so"
* Download the latest version of the Cuba library ( http://www.feynarts.de/cuba/ )
* Install Cuba using the following inside the extracted directory
./configure
CFLAGS=-fPIC ./configure
make
make install
@ -24,6 +24,7 @@ Installation of the musrfit-plugin "libGapIntegrals.so"
userFcn libGapIntegrals.so TGapSWave 4 5
userFcn libGapIntegrals.so TGapDWave 4 5
userFcn libGapIntegrals.so TGapAnSWave 4 5 6
#---------------------------------------------------------------------
# this is the end ...

4
src/external/libGapIntegrals/TIntegrator.cpp vendored
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@ -98,7 +98,7 @@ void TAnSWaveGapIntegralCuhre::Integrand(const int *ndim, const double x[],
const int *ncomp, double f[]) // x = {E, phi}, fPar = {T, Delta(T),a}
{
double twokt(2.0*0.08617384436*fPar[0]); // kB in meV/K
double Ec(4.0*(fPar[0]+fPar[1])); // upper limit of energy-integration: cutoff energy
double Ec(4.0*(fPar[0]+(1.0+fPar[2])*fPar[1])); // upper limit of energy-integration: cutoff energy
double phic(TMath::PiOver2()); // upper limit of phi-integration
double deltasq(TMath::Power(fPar[1]*(1.0+fPar[2]*TMath::Cos(4.0*x[1]*phic)),2.0));
f[0] = -phic*Ec/(2.0*twokt*TMath::Power(TMath::CosH(TMath::Sqrt(x[0]*x[0]*Ec*Ec+deltasq)/twokt),2.0));
@ -142,7 +142,7 @@ void TAnSWaveGapIntegralDivonne::Integrand(const int *ndim, const double x[],
const int *ncomp, double f[]) // x = {E, phi}, fPar = {T, Delta(T),a}
{
double twokt(2.0*0.08617384436*fPar[0]); // kB in meV/K
double Ec(4.0*(fPar[0]+fPar[1])); // upper limit of energy-integration: cutoff energy
double Ec(4.0*(fPar[0]+(1.0+fPar[2])*fPar[1])); // upper limit of energy-integration: cutoff energy
double phic(TMath::PiOver2()); // upper limit of phi-integration
double deltasq(TMath::Power(fPar[1]*(1.0+fPar[2]*TMath::Cos(4.0*x[1]*phic)),2.0));
f[0] = -phic*Ec/(2.0*twokt*TMath::Power(TMath::CosH(TMath::Sqrt(x[0]*x[0]*Ec*Ec+deltasq)/twokt),2.0));

132
src/msr2data.cpp
View File

@ -63,10 +63,14 @@ bool isNumber(const string &s)
*/
void msr2data_syntax()
{
cout << endl << "usage 1: msr2data <run> <extension> [-o<outputfile>] [data] [noheader] [nosummary] [fit-<template>[!]] [-k] [-t]";
cout << endl << "usage 2: msr2data <run1> <run2> <extension> [-o<outputfile>] [data] [noheader] [nosummary] [fit-<template>[!]] [-k] [-t]";
cout << endl << "usage 3: msr2data \\[<run1> <run2> ... <runN>\\] <extension> [-o<outputfile> ] [data] [noheader] [nosummary] [fit-<template>[!]] [-k] [-t]";
cout << endl << "usage 4: msr2data <runlist> <extension> [-o<outputfile>] [data] [noheader] [nosummary] [fit-<template>[!]] [-k] [-t]";
cout << endl << "usage 1: msr2data <run> <extension> [-o<outputfile>] [data] [noheader] [nosummary]";
cout << endl << " [fit [-k] [-t] | fit-<template>[!] [-k] [-t] | msr-<template>]";
cout << endl << "usage 2: msr2data <run1> <run2> <extension> [-o<outputfile>] [data] [noheader] [nosummary]";
cout << endl << " [fit [-k] [-t] | fit-<template>[!] [-k] [-t] | msr-<template>]";
cout << endl << "usage 3: msr2data \\[<run1> <run2> ... <runN>\\] <extension> [-o<outputfile> ] [data] [noheader] [nosummary]";
cout << endl << " [fit [-k] [-t] | fit-<template>[!] [-k] [-t] | msr-<template>]";
cout << endl << "usage 4: msr2data <runlist> <extension> [-o<outputfile>] [data] [noheader] [nosummary]";
cout << endl << " [fit [-k] [-t] | fit-<template>[!] [-k] [-t] | msr-<template>]";
cout << endl;
cout << endl << " <run>, <run1>, <run2>, ... <runN> : run numbers";
cout << endl << " <extension> : msr-file extension, e.g. _tf_h13 for the file name 8472_tf_h13.msr";
@ -74,10 +78,14 @@ void msr2data_syntax()
cout << endl << " data : instead of to a DB file the data are written to a simple column structure";
cout << endl << " noheader : no file header is written to the output file";
cout << endl << " nosummary : no additional data from the run data file is written to the output file";
cout << endl << " fit : invoke musrfit to fit the specified runs";
cout << endl << " All msr input files are assumed to be present, none is newly generated!";
cout << endl << " fit-<template>! : generate msr-files for the runs to be processed from the <template>-run";
cout << endl << " and call musrfit for fitting these runs";
cout << endl << " fit-<template> : same as above, but the <template>-run is only used for the first file creation - ";
cout << endl << " the succeding files are generated using the musrfit-output from the last runs";
cout << endl << " the succeding files are generated using the musrfit-output from the preceding runs";
cout << endl << " msr-<template> : same as above without calling musrfit";
cout << endl << " In case any fitting-option is present, this option is ignored!";
cout << endl << " -k : if fitting is used, pass the option --keep-mn2-output to musrfit";
cout << endl << " -t : if fitting is used, pass the option --title-from-data-file to musrfit";
cout << endl;
@ -107,7 +115,7 @@ string msr2data_outputfile(vector<string> &arg, bool db = true)
if (!iter->compare("-o")) {
if ((iterNext != arg.end()) && (iterNext->compare("noheader")) && (iterNext->compare("nosummary")) \
&& (iterNext->substr(0,3).compare("fit")) && (iterNext->compare("-k")) && (iterNext->compare("-t")) \
&& (iterNext->compare("data")) ) {
&& (iterNext->compare("data")) && (iterNext->substr(0,3).compare("msr")) ) {
outputFile = *iterNext;
arg.erase(iterNext);
arg.erase(iter);
@ -155,14 +163,28 @@ bool msr2data_useOption(vector<string> &arg, const string &s)
* std::vector of std::string
* bool
*/
unsigned int msr2data_doFitting(vector<string> &arg, bool &chainfit)
int msr2data_doFitting(vector<string> &arg, bool &chainfit)
{
unsigned int temp(0);
int temp(0);
string s;
istringstream iss;
for (vector<string>::iterator iter(arg.begin()); iter != arg.end(); iter++) {
if (!iter->substr(0,4).compare("fit-")) {
vector<string>::iterator iter(arg.begin());
while (iter != arg.end()) {
if (!iter->compare("fit")) {
if (temp) {
return -2; // fatal error - another fit-<temp> option is specified
}
temp = -1;
chainfit = false;
iter = arg.erase(iter);
if (iter == arg.end())
break;
}
else if (!iter->substr(0,4).compare("fit-")) {
if (temp) {
return -2; // fatal error - another fit option is specified
}
s = iter->substr(4);
string::size_type loc = s.rfind('!');
if (loc != string::npos)
@ -171,7 +193,36 @@ unsigned int msr2data_doFitting(vector<string> &arg, bool &chainfit)
chainfit = true;
iss.str(s);
iss >> temp;
iter = arg.erase(iter);
if (iter == arg.end())
break;
} else {
iter++;
}
}
return temp;
}
//--------------------------------------------------------------------------
/**
* <p>
* std::vector of std::string
* bool
*/
unsigned int msr2data_doInputCreation(vector<string> &arg, bool &inputOnly)
{
unsigned int temp(0);
string s;
istringstream iss;
for (vector<string>::iterator iter(arg.begin()); iter != arg.end(); iter++) {
if (!iter->substr(0,4).compare("msr-")) {
s = iter->substr(4);
iss.str(s);
iss >> temp;
arg.erase(iter);
inputOnly = true;
break;
}
}
@ -341,12 +392,20 @@ int main(int argc, char *argv[])
run_vec.clear();
// check if fitting should be done and in case, which template run number to use
unsigned int temp(0);
bool chainfit(true);
int temp(0);
bool chainfit(true), onlyInputCreation(false);
string musrfitOptions;
temp = msr2data_doFitting(arg, chainfit);
if (temp == -2) {
cout << endl;
cout << ">> msr2data: **ERROR** More than one fitting options are specified! Quitting..." << endl;
run_vec.clear();
arg.clear();
return status;
}
// check if any options should be passed to musrfit
if (temp) {
if (!msr2data_useOption(arg, "-k"))
@ -355,6 +414,17 @@ int main(int argc, char *argv[])
musrfitOptions.append("-t ");
}
// if no fitting should be done, check if only the input files should be created
if(!temp) {
temp = msr2data_doInputCreation(arg, onlyInputCreation);
if (onlyInputCreation) {
// if only input files should be created, do not write data to an output file (no matter, what has been determined earlier)
realOutput = false;
outputFile = "none";
}
}
bool writeHeader(false), writeSummary(false);
if (realOutput) {
@ -372,7 +442,7 @@ int main(int argc, char *argv[])
// Processing the run list, do the fitting and write the data to the DB or data output file
bool firstrun(true);
unsigned int oldtemp(temp);
unsigned int oldtemp(0); // should be accessed only when updated before...
while (msr2dataHandler.GetPresentRun()) {
ostringstream strInfile;
@ -380,26 +450,30 @@ int main(int argc, char *argv[])
// if fitting should be done, prepare a new input file
if (temp) {
bool success(true);
if (firstrun || !chainfit)
success = msr2dataHandler.PrepareNewInputFile(temp);
else
success = msr2dataHandler.PrepareNewInputFile(oldtemp);
if (firstrun)
firstrun = false;
oldtemp = msr2dataHandler.GetPresentRun();
if (temp > 0) {
bool success(true);
if (firstrun || !chainfit)
success = msr2dataHandler.PrepareNewInputFile(temp);
else
success = msr2dataHandler.PrepareNewInputFile(oldtemp);
if (firstrun)
firstrun = false;
oldtemp = msr2dataHandler.GetPresentRun();
if (!success) {
cout << endl << ">> msr2data: **ERROR** Input file generation has not been successful! Quitting..." << endl;
arg.clear();
return -1;
if (!success) {
cout << endl << ">> msr2data: **ERROR** Input file generation has not been successful! Quitting..." << endl;
arg.clear();
return -1;
}
}
// and do the fitting
ostringstream oss;
oss << "musrfit" << " " << strInfile.str() << " " << musrfitOptions;
cout << endl << ">> msr2data: **INFO** Calling " << oss.str() << endl;
system(oss.str().c_str());
if (!onlyInputCreation) {
ostringstream oss;
oss << "musrfit" << " " << strInfile.str() << " " << musrfitOptions;
cout << endl << ">> msr2data: **INFO** Calling " << oss.str() << endl;
system(oss.str().c_str());
}
}
// read msr-file