Fityk (curve fitting software) file integration

This is a small script for saving an loading files for use with Fityk (https://fityk.nieto.pl/), which is a small but powerful fitting software. 1D waves are saved to Fityk's native '.fit' file format, which is basically just a text file containing a script. These files then can be directly opened in Fityk. Fit results can be exported as many file formats. Currently '.dat' for fit data and '.peaks' for individual peaks are supported, which are loaded together as set. The loading part might not be well suited to your workflow (e.g., exporting data in Fityk via scripts etc.). Suggestions for improvements are welcome. You can use the 'Fityk' menu at the top bar for saving 1D waves selected in the Data Browser or use the following functions for saving and loading:

ExportToFityk(inwave)   // save fit files
or
LoadDataFromFityk()   // load dat and peaks files

 

Menu "Fityk"
    "Export to Fityk [.fit] ...",/Q, CreateBrowser; ExportToFityk_wrapper()
    "Load from Fityk [.dat] ...",/Q, LoadDataFromFityk()
End

Function ExportToFityk_wrapper()
    Variable index=0
    do
        String name = GetBrowserSelection(index)
        if (strlen(name) <= 0)
            break
        endif
        Wave/Z work = $name
        if (WaveExists(work))
            ExportToFityk(work)
        endif
        index+=1
    while(1)
    return 0
End

//#################################

Function ExportToFityk(in)
    wave in
    if (WaveDims(in) > 1)
        Abort "This is meant for 1D waves!"
    endif
   
    Variable refNum
    String fileFilters = "Data Files (*.fit):.fit;All Files:.*;"
    Open/F=fileFilters/M="Save a fit file" refNum
    String outputPath = S_fileName
    if(strlen(outputPath) == 0)
        return -1   //canceled
    endif

    Variable i, size = numpnts(in)
    String Header = "", Data = ""
    Header += "set verbosity = -1\r\n"
    Header += "set autoplot = 0\r\n"
    Header += "reset\r\n\r\n"
    Header += "use @0\r\n"
    Header += "title = '"+ NameOfWave(in) + "'\r\n"
    Header += "M="+num2str(size)+"\r\n"
   
    if (DimDelta(in, 0) < 0)    // inverse waves
        Header += "X="+num2str(pnt2x(in,0))+"\r\n"
        FPrintF refnum, Header
        for (i = 0; i < size; i += 1)
            sprintf Data, "X[%d]=%f, Y[%d]=%.15f, S[%d]=1, A[%d]=1\r\n", i, pnt2x(in,size-1-i), i, numtype(in[size-1-i]) == 0 ? in[size-1-i] : 0, i, i
            FPrintF refnum, Data
        endfor
    else
        Header += "X="+num2str(pnt2x(in, (DimDelta(in, 0) < 1)*(size-1) ))+"\r\n"
        FPrintF refnum, Header
        for (i = 0; i < size; i += 1)
            sprintf Data, "X[%d]=%f, Y[%d]=%.15f, S[%d]=1, A[%d]=1\r\n", i, pnt2x(in,i), i, numtype(in[i]) == 0 ? in[i] : 0, i, i
            FPrintF refnum, Data
        endfor
    endif
   
    Header = "\r\nplot\r\n"
    Header += "use @0\r\n"
    Header += "set autoplot = 1\r\n"
    Header += "set verbosity = 0"
    FPrintF refnum, Header
    close refnum
    return 0
End

//#################################

Function LoadDataFromFityk()
    Variable refNum
    String FileRef = "Fityk Files (*.dat):.dat;All Files:.*;"
    Open/D/R/MULT=1/F=FileRef/M="Select files to load" refNum
    if (strlen(S_fileName) == 0)
        return -1   //canceled
    endif
   
    Variable fileindex = 0, Datanum = 0
    String filePath = "", filename = "", fileList = S_FileName, Waves = ""
    DFREF saveDFR = GetDataFolderDFR()
    For (fileIndex = 0; fileIndex < ItemsInList(fileList,"\r"); fileIndex +=1)
        filePath = StringFromList (fileIndex, fileList,"\r")
        filename = ParseFilePath(3, filePath, ":", 0, 0)
        Print "Loading data from file '" + filename + "'."
        NewDataFolder/O/S $filename
            LoadWave/G/O/N=peak_/Q filePath
            Waves = S_waveNames
            LoadPeaksFromFityk(filePath)
           
            Wave xaxis = $StringFromList(0, Waves)
            For (Datanum = 1; Datanum < itemsinlist(Waves); Datanum += 1)
                SetScale/I x, xaxis[0], xaxis[numpnts(xaxis)-1], "", $StringFromList(Datanum, Waves)
            Endfor
            Wave total = $StringFromList(itemsinlist(Waves)-1, Waves)
            Duplicate/O total, $"summed"
            Killwaves xaxis, total
        SetDataFolder saveDFR
    Endfor
End

//#################################

Static Function LoadPeaksFromFityk(filePath)
    String filePath
    filePath = ReplaceString(".dat",filePath,".peaks")
    GetFileFolderInfo/Q/Z filePath
    if( V_Flag != 0)
        Print "Peak parameter file for this set not found."
        return -1
    endif
    LoadWave/J/M/K=2/O/U={1, 0, 1, 0}/V={"\t, ", " ", 0, 0}/N=parameters_/Q filePath
    Wave/T para = parameters_0  // get rid of empty row at end
    if(strlen(para[DimSize(para,0)-1]) == 0)
        DeletePoints/M=0 DimSize(para,0)-1, 1, para
    endif
    return 0
End

 

Fitky Integration_v1.ipf

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