Found a nice plugin for musrfit which I've never had committed to the svn...
This commit is contained in:
Bastian M. Wojek
427
src/external/libCalcMeanFieldsLEM/TCalcMeanFieldsLEM.cpp
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427
src/external/libCalcMeanFieldsLEM/TCalcMeanFieldsLEM.cpp
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/***************************************************************************
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TCalcMeanFieldsLEM.cpp
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Author: Bastian M. Wojek
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e-mail: bastian.wojek@psi.ch
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2009/11/27
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***************************************************************************/
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/***************************************************************************
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* Copyright (C) 2009 by Bastian M. Wojek *
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* *
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* *
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* This program is free software; you can redistribute it and/or modify *
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* it under the terms of the GNU General Public License as published by *
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* the Free Software Foundation; either version 2 of the License, or *
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* (at your option) any later version. *
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* *
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* This program is distributed in the hope that it will be useful, *
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* but WITHOUT ANY WARRANTY; without even the implied warranty of *
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
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* GNU General Public License for more details. *
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* *
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* You should have received a copy of the GNU General Public License *
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* along with this program; if not, write to the *
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* Free Software Foundation, Inc., *
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* 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. *
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***************************************************************************/
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#include <algorithm>
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#include <functional>
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#include <string>
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#include <iostream>
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using namespace std;
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#include <TSAXParser.h>
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#include "TFitPofBStartupHandler.h"
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#include "TCalcMeanFieldsLEM.h"
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ClassImp(TMeanFieldsForScHalfSpace)
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ClassImp(TMeanFieldsForScSingleLayer)
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ClassImp(TMeanFieldsForScBilayer)
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ClassImp(TMeanFieldsForScTrilayer)
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// Constructor: Read the energies from the xml-file and load the according TRIM.SP-data files
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TMeanFieldsForScHalfSpace::TMeanFieldsForScHalfSpace() {
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// read startup file
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string startup_path_name("TFitPofB_startup.xml");
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TSAXParser *saxParser = new TSAXParser();
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TFitPofBStartupHandler *startupHandler = new TFitPofBStartupHandler();
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saxParser->ConnectToHandler("TFitPofBStartupHandler", startupHandler);
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int status (saxParser->ParseFile(startup_path_name.c_str()));
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// check for parse errors
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if (status) { // error
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cout << endl << "**WARNING** reading/parsing TFitPofB_startup.xml failed." << endl;
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}
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string rge_path(startupHandler->GetDataPath());
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vector< pair<double, string> > energy_vec(startupHandler->GetEnergies());
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TTrimSPData *x = new TTrimSPData(rge_path, energy_vec);
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fImpProfile = x;
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x = 0;
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// clean up
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if (saxParser) {
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delete saxParser;
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saxParser = 0;
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}
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if (startupHandler) {
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delete startupHandler;
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startupHandler = 0;
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}
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}
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// Operator-method that returns the mean field for a given implantation energy
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// Parameters: field, deadlayer, lambda
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double TMeanFieldsForScHalfSpace::operator()(double E, const vector<double> &par_vec) const{
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// Calculate field profile
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vector<double> parForBofZ(par_vec);
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TLondon1D_HS BofZ(parForBofZ);
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vector<double> energies(fImpProfile->Energy());
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vector<double>::const_iterator energyIter;
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energyIter = find(energies.begin(), energies.end(), E);
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if (energyIter != energies.end()) { // implantation profile found - no interpolation needed
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return CalcMeanB(E, BofZ);
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} else {
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if (E < *energies.begin())
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return CalcMeanB(*energies.begin(), BofZ);
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if (E > *(energies.end()-1))
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return CalcMeanB(*(energies.end()-1), BofZ);
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energyIter = find_if(energies.begin(), energies.end(), bind2nd( greater<double>(), E));
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// cout << *(energyIter - 1) << " " << *(energyIter) << endl;
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double E1(*(energyIter - 1));
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double E2(*(energyIter));
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double B1(CalcMeanB(E1, BofZ));
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double B2(CalcMeanB(E2, BofZ));
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return B1 + (B2-B1)/(E2-E1)*(E-E1);
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}
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}
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double TMeanFieldsForScHalfSpace::CalcMeanB (double E, const TLondon1D_HS& BofZ) const {
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//calcData->UseHighResolution(E);
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fImpProfile->Normalize(E);
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vector<double> z(fImpProfile->DataZ(E));
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vector<double> nz(fImpProfile->DataNZ(E));
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// calculate mean field
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double meanB(0.);
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for (unsigned int i(0); i<z.size(); i++) {
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meanB += (z[1]-z[0])*nz[i]*BofZ.GetBofZ(z[i]/10.);
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}
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return meanB;
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}
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// Constructor: Read the energies from the xml-file and load the according TRIM.SP-data files
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TMeanFieldsForScSingleLayer::TMeanFieldsForScSingleLayer() {
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// read startup file
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string startup_path_name("TFitPofB_startup.xml");
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TSAXParser *saxParser = new TSAXParser();
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TFitPofBStartupHandler *startupHandler = new TFitPofBStartupHandler();
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saxParser->ConnectToHandler("TFitPofBStartupHandler", startupHandler);
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int status (saxParser->ParseFile(startup_path_name.c_str()));
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// check for parse errors
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if (status) { // error
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cout << endl << "**WARNING** reading/parsing TFitPofB_startup.xml failed." << endl;
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}
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string rge_path(startupHandler->GetDataPath());
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vector< pair<double, string> > energy_vec(startupHandler->GetEnergies());
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TTrimSPData *x = new TTrimSPData(rge_path, energy_vec);
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fImpProfile = x;
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x = 0;
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// clean up
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if (saxParser) {
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delete saxParser;
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saxParser = 0;
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}
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if (startupHandler) {
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delete startupHandler;
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startupHandler = 0;
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}
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}
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// Operator-method that returns the mean field for a given implantation energy
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// Parameters: field, deadlayer, thicknessSC, lambda
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double TMeanFieldsForScSingleLayer::operator()(double E, const vector<double> &par_vec) const{
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// Calculate field profile
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vector<double> parForBofZ(par_vec);
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TLondon1D_1L BofZ(parForBofZ);
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vector<double> energies(fImpProfile->Energy());
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vector<double>::const_iterator energyIter;
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energyIter = find(energies.begin(), energies.end(), E);
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if (energyIter != energies.end()) { // implantation profile found - no interpolation needed
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return CalcMeanB(E, BofZ);
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} else {
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if (E < *energies.begin())
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return CalcMeanB(*energies.begin(), BofZ);
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if (E > *(energies.end()-1))
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return CalcMeanB(*(energies.end()-1), BofZ);
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energyIter = find_if(energies.begin(), energies.end(), bind2nd( greater<double>(), E));
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// cout << *(energyIter - 1) << " " << *(energyIter) << endl;
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double E1(*(energyIter - 1));
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double E2(*(energyIter));
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double B1(CalcMeanB(E1, BofZ));
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double B2(CalcMeanB(E2, BofZ));
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return B1 + (B2-B1)/(E2-E1)*(E-E1);
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}
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}
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double TMeanFieldsForScSingleLayer::CalcMeanB (double E, const TLondon1D_1L& BofZ) const {
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//calcData->UseHighResolution(E);
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fImpProfile->Normalize(E);
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vector<double> z(fImpProfile->DataZ(E));
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vector<double> nz(fImpProfile->DataNZ(E));
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// calculate mean field
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double meanB(0.);
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for (unsigned int i(0); i<z.size(); i++) {
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meanB += (z[1]-z[0])*nz[i]*BofZ.GetBofZ(z[i]/10.);
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}
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return meanB;
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}
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// Constructor: Read the energies from the xml-file and load the according TRIM.SP-data files
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TMeanFieldsForScBilayer::TMeanFieldsForScBilayer() {
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// read startup file
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string startup_path_name("TFitPofB_startup.xml");
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TSAXParser *saxParser = new TSAXParser();
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TFitPofBStartupHandler *startupHandler = new TFitPofBStartupHandler();
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saxParser->ConnectToHandler("TFitPofBStartupHandler", startupHandler);
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int status (saxParser->ParseFile(startup_path_name.c_str()));
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// check for parse errors
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if (status) { // error
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cout << endl << "**WARNING** reading/parsing TFitPofB_startup.xml failed." << endl;
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}
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string rge_path(startupHandler->GetDataPath());
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vector< pair<double, string> > energy_vec(startupHandler->GetEnergies());
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TTrimSPData *x = new TTrimSPData(rge_path, energy_vec);
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fImpProfile = x;
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x = 0;
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// clean up
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if (saxParser) {
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delete saxParser;
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saxParser = 0;
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}
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if (startupHandler) {
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delete startupHandler;
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startupHandler = 0;
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}
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}
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// Operator-method that returns the mean field for a given implantation energy
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// Parameters: field, deadlayer, layer1, layer2, lambda1, lambda2, weight1 (deadlayer), weight2, weight3, weight4 (substrate)
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double TMeanFieldsForScBilayer::operator()(double E, const vector<double> &par_vec) const{
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vector<double> interfaces;
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interfaces.push_back(par_vec[1]);
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interfaces.push_back(par_vec[1]+par_vec[2]);
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interfaces.push_back(par_vec[1]+par_vec[2]+par_vec[3]);
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vector<double> weights;
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weights.push_back(par_vec[6]);
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weights.push_back(par_vec[7]);
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weights.push_back(par_vec[8]);
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weights.push_back(par_vec[9]);
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// Calculate field profile
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vector<double> parForBofZ;
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for (unsigned int i(0); i<6; i++)
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parForBofZ.push_back(par_vec[i]);
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TLondon1D_2L BofZ(parForBofZ);
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vector<double> energies(fImpProfile->Energy());
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vector<double>::const_iterator energyIter;
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energyIter = find(energies.begin(), energies.end(), E);
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if (energyIter != energies.end()) { // implantation profile found - no interpolation needed
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return CalcMeanB(E, interfaces, weights, BofZ);
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} else {
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if (E < *energies.begin())
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return CalcMeanB(*energies.begin(), interfaces, weights, BofZ);
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if (E > *(energies.end()-1))
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return CalcMeanB(*(energies.end()-1), interfaces, weights, BofZ);
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energyIter = find_if(energies.begin(), energies.end(), bind2nd( greater<double>(), E));
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// cout << *(energyIter - 1) << " " << *(energyIter) << endl;
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double E1(*(energyIter - 1));
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double E2(*(energyIter));
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double B1(CalcMeanB(E1, interfaces, weights, BofZ));
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double B2(CalcMeanB(E2, interfaces, weights, BofZ));
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return B1 + (B2-B1)/(E2-E1)*(E-E1);
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}
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}
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double TMeanFieldsForScBilayer::CalcMeanB (double E, const vector<double>& interfaces, const vector<double>& weights, const TLondon1D_2L& BofZ) const {
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//calcData->UseHighResolution(E);
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fImpProfile->WeightLayers(E, interfaces, weights);
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fImpProfile->Normalize(E);
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vector<double> z(fImpProfile->DataZ(E));
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vector<double> nz(fImpProfile->DataNZ(E));
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// calculate mean field
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double meanB(0.);
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for (unsigned int i(0); i<z.size(); i++) {
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meanB += (z[1]-z[0])*nz[i]*BofZ.GetBofZ(z[i]/10.);
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}
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return meanB;
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}
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// Constructor: Read the energies from the xml-file and load the according TRIM.SP-data files
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TMeanFieldsForScTrilayer::TMeanFieldsForScTrilayer() {
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// read startup file
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string startup_path_name("TFitPofB_startup.xml");
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TSAXParser *saxParser = new TSAXParser();
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TFitPofBStartupHandler *startupHandler = new TFitPofBStartupHandler();
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saxParser->ConnectToHandler("TFitPofBStartupHandler", startupHandler);
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int status (saxParser->ParseFile(startup_path_name.c_str()));
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// check for parse errors
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if (status) { // error
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cout << endl << "**WARNING** reading/parsing TFitPofB_startup.xml failed." << endl;
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}
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string rge_path(startupHandler->GetDataPath());
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vector< pair<double, string> > energy_vec(startupHandler->GetEnergies());
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TTrimSPData *x = new TTrimSPData(rge_path, energy_vec);
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fImpProfile = x;
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x = 0;
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// clean up
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if (saxParser) {
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delete saxParser;
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saxParser = 0;
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}
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if (startupHandler) {
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delete startupHandler;
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startupHandler = 0;
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}
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}
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// Operator-method that returns the mean field for a given implantation energy
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// Parameters: field, deadlayer, layer1, layer2, layer3, lambda1, lambda2, lambda3, weight1, weight2, weight3, weight4, weight5
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double TMeanFieldsForScTrilayer::operator()(double E, const vector<double> &par_vec) const{
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vector<double> interfaces;
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interfaces.push_back(par_vec[1]);
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interfaces.push_back(par_vec[1]+par_vec[2]);
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interfaces.push_back(par_vec[1]+par_vec[2]+par_vec[3]);
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interfaces.push_back(par_vec[1]+par_vec[2]+par_vec[3]+par_vec[4]);
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vector<double> weights;
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weights.push_back(par_vec[8]);
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weights.push_back(par_vec[9]);
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weights.push_back(par_vec[10]);
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weights.push_back(par_vec[11]);
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weights.push_back(par_vec[12]);
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// Calculate field profile
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vector<double> parForBofZ;
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for (unsigned int i(0); i<8; i++)
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parForBofZ.push_back(par_vec[i]);
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TLondon1D_3L BofZ(parForBofZ);
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vector<double> energies(fImpProfile->Energy());
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vector<double>::const_iterator energyIter;
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energyIter = find(energies.begin(), energies.end(), E);
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if (energyIter != energies.end()) { // implantation profile found - no interpolation needed
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return CalcMeanB(E, interfaces, weights, BofZ);
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} else {
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if (E < *energies.begin())
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return CalcMeanB(*energies.begin(), interfaces, weights, BofZ);
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if (E > *(energies.end()-1))
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return CalcMeanB(*(energies.end()-1), interfaces, weights, BofZ);
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energyIter = find_if(energies.begin(), energies.end(), bind2nd( greater<double>(), E));
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// cout << *(energyIter - 1) << " " << *(energyIter) << endl;
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double E1(*(energyIter - 1));
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double E2(*(energyIter));
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double B1(CalcMeanB(E1, interfaces, weights, BofZ));
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double B2(CalcMeanB(E2, interfaces, weights, BofZ));
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return B1 + (B2-B1)/(E2-E1)*(E-E1);
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}
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}
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double TMeanFieldsForScTrilayer::CalcMeanB (double E, const vector<double>& interfaces, const vector<double>& weights, const TLondon1D_3L& BofZ) const {
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//calcData->UseHighResolution(E);
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fImpProfile->WeightLayers(E, interfaces, weights);
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fImpProfile->Normalize(E);
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vector<double> z(fImpProfile->DataZ(E));
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vector<double> nz(fImpProfile->DataNZ(E));
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// calculate mean field
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double meanB(0.);
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for (unsigned int i(0); i<z.size(); i++) {
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meanB += (z[1]-z[0])*nz[i]*BofZ.GetBofZ(z[i]/10.);
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}
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return meanB;
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}
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