/*************************************************************************** PMsrHandler.h Author: Andreas Suter e-mail: andreas.suter@psi.ch ***************************************************************************/ /*************************************************************************** * Copyright (C) 2007-2025 by Andreas Suter * * andreas.suter@psi.ch * * * * This program is free software; you can redistribute it and/or modify * * it under the terms of the GNU General Public License as published by * * the Free Software Foundation; either version 2 of the License, or * * (at your option) any later version. * * * * This program is distributed in the hope that it will be useful, * * but WITHOUT ANY WARRANTY; without even the implied warranty of * * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * * GNU General Public License for more details. * * * * You should have received a copy of the GNU General Public License * * along with this program; if not, write to the * * Free Software Foundation, Inc., * * 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. * ***************************************************************************/ #ifndef _PMSRHANDLER_H_ #define _PMSRHANDLER_H_ #include #include #include #include #include #include "PMusr.h" #include "PFunctionHandler.h" #include "PFunctionGrammar.h" #include "PFunction.h" //------------------------------------------------------------- /** * \brief MSR file parser and manager for the musrfit framework. * * PMsrHandler is the central class for managing MSR (Muon Spin Rotation/Relaxation) * files used throughout the musrfit suite. It provides comprehensive functionality for: * * **File Operations:** * - Reading and parsing MSR files with full syntax validation * - Writing MSR files with fitted parameters and statistics * - Generating log files (.mlog) for debugging * - Preserving user comments during file I/O * * **Data Management:** * - Fit parameters (values, errors, constraints, names) * - Theory definitions (fit functions for asymmetry/relaxation) * - User-defined functions (mathematical expressions) * - Global settings (fit type, data format, etc.) * - Run configurations (data files, histograms, ranges) * - MINUIT commands (fit strategy, precision, etc.) * - Fourier transform parameters * - Plot settings * - Fit statistics (χ², degrees of freedom, convergence) * * **Validation and Integrity Checking:** * - Parameter name uniqueness verification * - Theory-to-parameter mapping validation * - Histogram grouping consistency checks * - RRF (Rotating Reference Frame) configuration validation * - Function syntax and parameter usage verification * - Map index range checking * - Legacy lifetimecorrection detection * * **MSR File Structure:** * An MSR file contains the following blocks (in order): * 1. TITLE - Brief description of the fit * 2. FITPARAMETER - Fit parameters with initial values and constraints * 3. THEORY - Asymmetry/relaxation function definitions * 4. FUNCTIONS (optional) - User-defined mathematical functions * 5. GLOBAL (optional) - Global fit settings * 6. RUN - Data file specifications and fit ranges * 7. COMMANDS - MINUIT fitting commands * 8. FOURIER (optional) - Fourier transform settings * 9. PLOT (optional) - Plotting parameters * 10. STATISTIC - Fit results (χ², NDF, convergence) * * **Usage Example:** * \code * // Reading an MSR file * PMsrHandler handler("run1234.msr"); * if (handler.ReadMsrFile() == PMUSR_SUCCESS) { * PMsrParamList *params = handler.GetMsrParamList(); * * // Access and modify parameters * handler.SetMsrParamValue(0, 12.5); * * // Perform fit (in calling code) * // ... * * // Update statistics and write results * handler.SetMsrStatisticMin(chisq); * handler.SetMsrStatisticNdf(ndf); * handler.WriteMsrFile("run1234_fitted.msr"); * } * \endcode * * \see PMusr.h for MSR data structure definitions * \see PFunctionHandler for user-defined function evaluation * \see PStartupOptions for configuration settings */ class PMsrHandler { public: /** *

Constructor for PMsrHandler. * * @param fileName Path to MSR file to read/write * @param startupOptions Optional startup configuration (from musrfit_startup.xml) * @param fourierOnly If true, only parse Fourier-related blocks (for musrFT) */ PMsrHandler(const Char_t *fileName, PStartupOptions *startupOptions=0, const Bool_t fourierOnly=false); virtual ~PMsrHandler(); /** *

Reads and parses the MSR file. * *

Performs comprehensive parsing of all MSR file blocks including * TITLE, FITPARAMETER, THEORY, FUNCTIONS, GLOBAL, RUN, COMMANDS, * FOURIER, PLOT, and STATISTIC blocks. Validates consistency and * reports detailed error messages on failure. * * @return PMUSR_SUCCESS on success, negative error code on failure * * @see PMUSR_MSR_FILE_NOT_FOUND * @see PMUSR_MSR_SYNTAX_ERROR */ virtual Int_t ReadMsrFile(); /** *

Writes a log file with MSR file content and parsing information. * *

Creates a .mlog file containing the parsed MSR structure, * useful for debugging and verifying parameter interpretation. * * @param messages If true, includes informational messages in log * @return PMUSR_SUCCESS on success, negative error code on failure */ virtual Int_t WriteMsrLogFile(const Bool_t messages = true); /** *

Writes MSR file with updated parameters and results. * *

Writes a complete MSR file, optionally preserving user comments * from specific blocks. Typically called after fitting to save * fitted parameters and statistics. * * @param filename Output MSR file path * @param commentsPAR Optional comments for FITPARAMETER block (line number → comment) * @param commentsTHE Optional comments for THEORY block * @param commentsFUN Optional comments for FUNCTIONS block * @param commentsRUN Optional comments for RUN block * @return PMUSR_SUCCESS on success, negative error code on failure */ virtual Int_t WriteMsrFile(const Char_t *filename, std::map *commentsPAR = 0, std::map *commentsTHE = 0, \ std::map *commentsFUN = 0, std::map *commentsRUN = 0); /// Returns pointer to MSR file title string virtual TString* GetMsrTitle() { return &fTitle; } /// Returns pointer to fit parameter list virtual PMsrParamList* GetMsrParamList() { return &fParam; } /// Returns pointer to THEORY block lines virtual PMsrLines* GetMsrTheory() { return &fTheory; } /// Returns pointer to FUNCTIONS block lines virtual PMsrLines* GetMsrFunctions() { return &fFunctions; } /// Returns pointer to GLOBAL block settings virtual PMsrGlobalBlock* GetMsrGlobal() { return &fGlobal; } /// Returns pointer to list of RUN blocks virtual PMsrRunList* GetMsrRunList() { return &fRuns; } /// Returns pointer to COMMANDS block lines virtual PMsrLines* GetMsrCommands() { return &fCommands; } /// Returns pointer to FOURIER block settings virtual PMsrFourierStructure* GetMsrFourierList() { return &fFourier; } /// Returns pointer to list of PLOT blocks virtual PMsrPlotList* GetMsrPlotList() { return &fPlots; } /// Returns pointer to STATISTIC block virtual PMsrStatisticStructure* GetMsrStatistic() { return &fStatistic; } /// Returns pointer to MSR file directory path virtual TString* GetMsrFileDirectoryPath() { return &fMsrFileDirectoryPath; } /// Returns the number of RUN blocks in MSR file virtual UInt_t GetNoOfRuns() { return fRuns.size(); } /// Returns the number of fit parameters in FITPARAMETER block virtual UInt_t GetNoOfParams() { return fParam.size(); } /// Returns the MSR file name virtual const TString& GetFileName() const { return fFileName; } /// Sets the MSR file title /// @param title New title string virtual void SetMsrTitle(const TString &title) { fTitle = title; } /** *

Sets the value of a fit parameter. * * @param i Parameter index (0-based) * @param value New parameter value * @return true on success, false if index out of range */ virtual Bool_t SetMsrParamValue(UInt_t i, Double_t value); /** *

Sets the step size (or error) of a fit parameter. * * @param i Parameter index (0-based) * @param value New step/error value * @return true on success, false if index out of range */ virtual Bool_t SetMsrParamStep(UInt_t i, Double_t value); /** *

Sets whether positive error is present for a parameter. * * @param i Parameter index (0-based) * @param value True if positive error is defined * @return true on success, false if index out of range */ virtual Bool_t SetMsrParamPosErrorPresent(UInt_t i, Bool_t value); /** *

Sets the positive error value for a parameter (asymmetric errors). * * @param i Parameter index (0-based) * @param value Positive error value * @return true on success, false if index out of range */ virtual Bool_t SetMsrParamPosError(UInt_t i, Double_t value); /** *

Sets a time-zero bin entry for a specific run. * * @param runNo Run block number (0-based) * @param idx Histogram index within t0 list * @param bin Time-zero bin value */ virtual void SetMsrT0Entry(UInt_t runNo, UInt_t idx, Double_t bin); /** *

Sets a time-zero bin for an addrun histogram. * * @param runNo Run block number (0-based) * @param addRunIdx Index of addrun entry * @param histoIdx Histogram index within addrun * @param bin Time-zero bin value */ virtual void SetMsrAddT0Entry(UInt_t runNo, UInt_t addRunIdx, UInt_t histoIdx, Double_t bin); /** *

Sets a data range bin entry for a specific run. * * @param runNo Run block number (0-based) * @param idx Data range index (0=start, 1=end, etc.) * @param bin Data range bin value */ virtual void SetMsrDataRangeEntry(UInt_t runNo, UInt_t idx, Int_t bin); /** *

Sets a background range bin entry for a specific run. * * @param runNo Run block number (0-based) * @param idx Background range index (0=start, 1=end, etc.) * @param bin Background range bin value */ virtual void SetMsrBkgRangeEntry(UInt_t runNo, UInt_t idx, Int_t bin); /// Flags that STATISTIC block should be copied as-is (for musrt0) virtual void CopyMsrStatisticBlock() { fCopyStatisticsBlock = true; } /// Sets whether fit converged in STATISTIC block /// @param converged True if fit converged successfully virtual void SetMsrStatisticConverged(Bool_t converged) { fStatistic.fValid = converged; } /// Sets the minimum χ² (or max likelihood) in STATISTIC block /// @param min Minimum value virtual void SetMsrStatisticMin(Double_t min) { fStatistic.fMin = min; } /// Sets the number of degrees of freedom in STATISTIC block /// @param ndf Degrees of freedom virtual void SetMsrStatisticNdf(UInt_t ndf) { fStatistic.fNdf = ndf; } /// Returns the number of user-defined functions in FUNCTIONS block virtual Int_t GetNoOfFuncs() { return fFuncHandler->GetNoOfFuncs(); } /** *

Gets function number by index. * * @param idx Function index (0-based) * @return Function number as defined in FUNCTIONS block */ virtual UInt_t GetFuncNo(Int_t idx) { return fFuncHandler->GetFuncNo(idx); } /** *

Gets function index from function number. * * @param funNo Function number * @return Function index (0-based) */ virtual UInt_t GetFuncIndex(Int_t funNo) { return fFuncHandler->GetFuncIndex(funNo); } /** *

Checks if map and parameter ranges are valid for functions. * * @param mapSize Size of map vector * @param paramSize Number of available parameters * @return true if ranges are valid */ virtual Bool_t CheckMapAndParamRange(UInt_t mapSize, UInt_t paramSize) { return fFuncHandler->CheckMapAndParamRange(mapSize, paramSize); } /** *

Evaluates a user-defined function. * * @param i Function index * @param map Parameter mapping vector * @param param Parameter value vector * @param metaData Experimental metadata (field, temperature, etc.) * @return Evaluated function value */ virtual Double_t EvalFunc(UInt_t i, std::vector map, std::vector param, PMetaData metaData) { return fFuncHandler->Eval(i, map, param, metaData); } /** *

Gets the number of fit parameters used in a specific theory line. * * @param idx Theory line index * @return Number of parameters used */ virtual UInt_t GetNoOfFitParameters(UInt_t idx); /** *

Checks if a parameter is used in theory or functions. * * @param paramNo Parameter number (1-based as in MSR file) * @return 1 if used, 0 if unused, -1 on error */ virtual Int_t ParameterInUse(UInt_t paramNo); /** *

Generates a grouping string for histogram display. * * @param runNo Run block number * @param detector Detector identifier ("forward" or "backward") * @param groupingStr Output grouping string */ virtual void GetGroupingString(Int_t runNo, TString detector, TString &groupingStr); /** *

Estimates N0 parameter for single histogram fits. * *

Uses data amplitude at t=0 to provide initial N0 estimate, * improving fit convergence for single histogram fits. * * @return true on success */ virtual Bool_t EstimateN0(); /// Returns the last error message as a string /// @return Error message string virtual std::string GetLastErrorMsg() { return fLastErrorMsg.str(); } private: Bool_t fFourierOnly; ///< Flag indicating Fourier transform only mode (for musrFT) PStartupOptions *fStartupOptions; ///< Pointer to startup options from musrfit_startup.xml TString fFileName; ///< MSR file name (with path) TString fMsrFileDirectoryPath; ///< Directory path of the MSR file TString fTitle; ///< MSR file title string PMsrParamList fParam; ///< List of fit parameters with values, errors, constraints PMsrLines fTheory; ///< Theory block lines defining asymmetry/relaxation functions PMsrLines fFunctions; ///< User-defined functions block lines PMsrGlobalBlock fGlobal; ///< Global block settings (fit type, data format, etc.) PMsrRunList fRuns; ///< List of RUN blocks with data file specifications PMsrLines fCommands; ///< MINUIT commands block lines PMsrFourierStructure fFourier; ///< Fourier transform parameters and settings PMsrPlotList fPlots; ///< List of PLOT blocks with plotting parameters PMsrStatisticStructure fStatistic; ///< Fit statistics (χ², NDF, convergence status) Int_t fMsrBlockCounter; ///< Counter to track current MSR block during parsing std::unique_ptr fFuncHandler; ///< Handler for parsing and evaluating user-defined functions PIntVector fParamInUse; ///< Flags indicating which parameters are actually used in theory/functions Bool_t fCopyStatisticsBlock; ///< If true, copy old statistics block (musrt0); if false, write new one (musrfit) std::stringstream fLastErrorMsg; ///< Stream accumulating error messages during parsing /// Parses FITPARAMETER block entries virtual Bool_t HandleFitParameterEntry(PMsrLines &line); /// Parses THEORY block entries virtual Bool_t HandleTheoryEntry(PMsrLines &line); /// Parses FUNCTIONS block entries virtual Bool_t HandleFunctionsEntry(PMsrLines &line); /// Parses GLOBAL block entries virtual Bool_t HandleGlobalEntry(PMsrLines &line); /// Parses RUN block entries virtual Bool_t HandleRunEntry(PMsrLines &line); /// Parses COMMANDS block entries virtual Bool_t HandleCommandsEntry(PMsrLines &line); /// Parses FOURIER block entries virtual Bool_t HandleFourierEntry(PMsrLines &line); /// Parses PLOT block entries virtual Bool_t HandlePlotEntry(PMsrLines &line); /// Parses STATISTIC block entries virtual Bool_t HandleStatisticEntry(PMsrLines &line); /// Determines which parameters are used in theory and functions virtual void FillParameterInUse(PMsrLines &theory, PMsrLines &funcs, PMsrLines &run); /// Initializes Fourier parameter structure with default values virtual void InitFourierParameterStructure(PMsrFourierStructure &fourier); /// Removes comments from MSR file line virtual void RemoveComment(const TString &str, TString &truncStr); /// Parses Fourier phase value vector virtual Bool_t ParseFourierPhaseValueVector(PMsrFourierStructure &fourier, const TString &str, Bool_t &error); /// Parses Fourier phase parameter vector virtual Bool_t ParseFourierPhaseParVector(PMsrFourierStructure &fourier, const TString &str, Bool_t &error); /// Parses Fourier phase parameter iteration vector virtual Bool_t ParseFourierPhaseParIterVector(PMsrFourierStructure &fourier, const TString &str, Bool_t &error); /// Extracts number from string with specific filter pattern virtual Bool_t FilterNumber(TString str, const Char_t *filter, Int_t offset, Int_t &no); /// Calculates precision needed for formatting a double value virtual UInt_t NeededPrecision(Double_t dval, UInt_t precLimit=13); /// Finds position of last significant digit in a double value virtual UInt_t LastSignificant(Double_t dval, UInt_t precLimit=6); /// Creates detector grouping string from integer vector virtual void MakeDetectorGroupingString(TString str, PIntVector &group, TString &result, Bool_t includeDetector = true); /// Formats Fourier phase parameter string for display virtual TString BeautifyFourierPhaseParameterString(); /// Checks for deprecated lifetimecorrection syntax and warns user virtual void CheckLegacyLifetimecorrection(); /// Validates RUN block structure and consistency virtual Bool_t CheckRunBlockIntegrity(); /// Checks that all parameter names are unique virtual Bool_t CheckUniquenessOfParamNames(UInt_t &parX, UInt_t &parY); /// Validates that all map indices are within parameter range virtual Bool_t CheckMaps(); /// Validates user-defined functions syntax and parameter usage virtual Bool_t CheckFuncs(); /// Checks histogram grouping consistency across runs virtual Bool_t CheckHistoGrouping(); /// Validates addrun parameter references virtual Bool_t CheckAddRunParameters(); /// Validates RRF (Rotating Reference Frame) settings virtual Bool_t CheckRRFSettings(); /// Checks if real FFT requirements are met virtual Bool_t CheckRealFFT(); /// Validates maximum likelihood fit settings virtual void CheckMaxLikelihood(); }; #endif // _PMSRHANDLER_H_