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Tried to fix the ASCII export from musrview in the case of a Fourier-power-difference (some more tests needed); additionally minor changes to the BMWlibs

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This commit is contained in:
Bastian M. Wojek
2011-04-10 16:27:36 +00:00
parent ae83e1a296
commit 2c514a881c
13 changed files with 492 additions and 39 deletions
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45
src/external/BMWtools/TTrimSPDataHandler.cpp vendored
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@@ -119,9 +119,22 @@ TTrimSPData::TTrimSPData(const string &path, map<double, string> &energies, bool
fEnergyIter = fEnergy.end();
}
// Method checking if an implantation profile is available for a given energy
// The behavior is the similar to the find-algorithm but more robust (tiny deviations in the energies are allowed).
// If the given energy is found the methods sets the internal energy iterator to the element of the energy vector.
// If it is not found the energy iterator will point to the end() of the energy vector.
void TTrimSPData::FindEnergy(double e) const {
for(fEnergyIter = fEnergy.begin(); fEnergyIter != fEnergy.end(); ++fEnergyIter) {
if(fabs(*fEnergyIter - e) < 0.05)
return;
}
return;
}
void TTrimSPData::UseHighResolution(double e) {
fEnergyIter = find(fEnergy.begin(), fEnergy.end(), e);
FindEnergy(e);
if(fEnergyIter != fEnergy.end()) {
unsigned int i(fEnergyIter - fEnergy.begin());
@@ -149,7 +162,7 @@ void TTrimSPData::UseHighResolution(double e) {
vector<double> TTrimSPData::DataZ(double e) const {
fEnergyIter = find(fEnergy.begin(), fEnergy.end(), e);
FindEnergy(e);
if(fEnergyIter != fEnergy.end()) {
unsigned int i(fEnergyIter - fEnergy.begin());
@@ -167,7 +180,7 @@ vector<double> TTrimSPData::DataZ(double e) const {
vector<double> TTrimSPData::DataNZ(double e) const {
fEnergyIter = find(fEnergy.begin(), fEnergy.end(), e);
FindEnergy(e);
if(fEnergyIter != fEnergy.end()) {
unsigned int i(fEnergyIter - fEnergy.begin());
@@ -185,7 +198,7 @@ vector<double> TTrimSPData::DataNZ(double e) const {
vector<double> TTrimSPData::OrigDataNZ(double e) const {
fEnergyIter = find(fEnergy.begin(), fEnergy.end(), e);
FindEnergy(e);
if(fEnergyIter != fEnergy.end()) {
unsigned int i(fEnergyIter - fEnergy.begin());
@@ -199,7 +212,7 @@ vector<double> TTrimSPData::OrigDataNZ(double e) const {
double TTrimSPData::DataDZ(double e) const {
fEnergyIter = find(fEnergy.begin(), fEnergy.end(), e);
FindEnergy(e);
if(fEnergyIter != fEnergy.end()) {
unsigned int i(fEnergyIter - fEnergy.begin());
@@ -223,9 +236,9 @@ double TTrimSPData::LayerFraction(double e, unsigned int layno, const vector<dou
return 0.0;
}
fEnergyIter = find(fEnergy.begin(), fEnergy.end(), e);
FindEnergy(e);
if(fEnergyIter != fEnergy.end()) {
if (fEnergyIter != fEnergy.end()) {
unsigned int i(fEnergyIter - fEnergy.begin());
// Because we do not know if the implantation profile is normalized or not, do not care about this and calculate the fraction from the beginning
// Total "number of muons"
@@ -253,7 +266,7 @@ double TTrimSPData::LayerFraction(double e, unsigned int layno, const vector<dou
}
// default
cout << "TTrimSPData::LayerFraction: No implantation profile available for the specified energy... Returning 0.0" << endl;
cout << "TTrimSPData::LayerFraction: No implantation profile available for the specified energy " << e << " keV... Returning 0.0" << endl;
return 0.0;
}
@@ -294,7 +307,7 @@ void TTrimSPData::WeightLayers(double e, const vector<double>& interface, const
}
}
fEnergyIter = find(fEnergy.begin(), fEnergy.end(), e);
FindEnergy(e);
// If all weights are equal to one, use the original n(z) vector
for(unsigned int i(0); i<weight.size(); i++) {
@@ -341,14 +354,14 @@ double TTrimSPData::GetNofZ(double zz, double e) const {
vector<double> z, nz;
fEnergyIter = find(fEnergy.begin(), fEnergy.end(), e);
FindEnergy(e);
if(fEnergyIter != fEnergy.end()) {
unsigned int i(fEnergyIter - fEnergy.begin());
z = fDataZ[i];
nz = fDataNZ[i];
} else {
cout << "TTrimSPData::GetNofZ: No implantation profile available for the specified energy... Quitting!" << endl;
cout << "TTrimSPData::GetNofZ: No implantation profile available for the specified energy " << e << " keV... Quitting!" << endl;
exit(-1);
}
@@ -379,7 +392,7 @@ double TTrimSPData::GetNofZ(double zz, double e) const {
void TTrimSPData::Normalize(double e) const {
fEnergyIter = find(fEnergy.begin(), fEnergy.end(), e);
FindEnergy(e);
if(fEnergyIter != fEnergy.end()) {
unsigned int i(fEnergyIter - fEnergy.begin());
@@ -404,7 +417,7 @@ void TTrimSPData::Normalize(double e) const {
//---------------------
bool TTrimSPData::IsNormalized(double e) const {
fEnergyIter = find(fEnergy.begin(), fEnergy.end(), e);
FindEnergy(e);
if(fEnergyIter != fEnergy.end()) {
unsigned int i(fEnergyIter - fEnergy.begin());
@@ -420,7 +433,7 @@ bool TTrimSPData::IsNormalized(double e) const {
//---------------------
double TTrimSPData::MeanRange(double e) const {
fEnergyIter = find(fEnergy.begin(), fEnergy.end(), e);
FindEnergy(e);
if(fEnergyIter != fEnergy.end()) {
unsigned int i(fEnergyIter - fEnergy.begin());
@@ -444,7 +457,7 @@ double TTrimSPData::MeanRange(double e) const {
double TTrimSPData::PeakRange(double e) const {
fEnergyIter = find(fEnergy.begin(), fEnergy.end(), e);
FindEnergy(e);
if(fEnergyIter != fEnergy.end()) {
unsigned int i(fEnergyIter - fEnergy.begin());
@@ -476,7 +489,7 @@ void TTrimSPData::ConvolveGss(double w, double e) const {
vector<double> z, nz, gss;
double nn;
fEnergyIter = find(fEnergy.begin(), fEnergy.end(), e);
FindEnergy(e);
if(fEnergyIter != fEnergy.end()) {
unsigned int i(fEnergyIter - fEnergy.begin());

2
src/external/BMWtools/TTrimSPDataHandler.h vendored
View File

@@ -70,6 +70,8 @@ public:
double PeakRange(double) const;
private:
void FindEnergy(double) const;
vector<double> fEnergy; ///< vector holding all available muon energies
vector<double> fDZ; ///< vector holding the spatial resolution of the TRIM.SP output for all energies
vector< vector<double> > fDataZ; ///< discrete points in real space for which n(z) has been calculated for all energies