pearl-pmsco-import.ipf

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#pragma rtGlobals=3     // Use modern global access method and strict wave access.
#pragma IgorVersion = 6.2
#pragma ModuleName = PearlPmscoImport

// copyright (c) 2018 Paul Scherrer Institut
//
// Licensed under the Apache License, Version 2.0 (the "License");
//   you may not use this file except in compliance with the License.
//   You may obtain a copy of the License at
//   http:///www.apache.org/licenses/LICENSE-2.0
//
// Please acknowledge the use of this code.




function /s pmsco_save_scan(pathname, filename, energy, theta, phi, alpha, intensity, sigma, [sdfr])
    string pathname
    string filename
    string energy
    string theta
    string phi
    string alpha
    string intensity
    string sigma
    dfref sdfr

    //string fileext
    //fileext = StringFromList(ItemsInList(filename, ".") - 1, filename, ".")
    
    dfref savedf = GetDataFolderDFR()
    dfref tempdf = NewFreeDataFolder()

    if (ParamIsDefault(sdfr))
        dfref sdfr = savedf
    endif
    SetDataFolder sdfr
    wave w_intensity = $intensity
    string wavenames = ""
    
    wavenames = save_scan_helper("w_energy", energy, w_intensity, tempdf, wavenames)
    wavenames = save_scan_helper("w_theta", theta, w_intensity, tempdf, wavenames)
    wavenames = save_scan_helper("w_phi", phi, w_intensity, tempdf, wavenames)
    wavenames = save_scan_helper("w_alpha", alpha, w_intensity, tempdf, wavenames)
    wavenames = save_scan_helper("w_intensity", intensity, w_intensity, tempdf, wavenames)
    wavenames = save_scan_helper("w_sigma", sigma, w_intensity, tempdf, wavenames)
    
    setdatafolder tempdf
    save /b /g /m="\n" /p=$pathname wavenames as filename
    setdatafolder savedf
end

static function /s save_scan_helper(destname, value, template, destdfr, wavenames)
    string destname
    string value
    wave template
    dfref destdfr
    string wavenames
    
    variable err = 0
    if (strlen(value) > 0)
        if (exists(value) == 1)
            duplicate $value, destdfr:$destname
            wave /sdfr=destdfr w=$destname
        else
            duplicate template, destdfr:$destname
            wave /sdfr=destdfr w=$destname
            variable numval = str2num(value)
            string msg
            if (numtype(numval) == 0)
                w = numval
            //elseif (cmpstr(value[0,0], "%") == 0)
            else
                strswitch(value)
                    case "x":
                        w = DimOffset(template, 0) + DimDelta(template, 0) * p
                        break
                    case "y":
                        w = DimOffset(template, 1) + DimDelta(template, 1) * q
                        break
                    case "z":
                        w = DimOffset(template, 2) + DimDelta(template, 2) * r
                        break
                    case "t":
                        w = DimOffset(template, 3) + DimDelta(template, 3) * s
                        break
                    default:
                        err = 1
                        sprintf msg, "invalid %s argument", StringFromList(1, destname, "_")
                endswitch
            endif
        endif
        if (err == 0)
            wavenames = AddListItem(destname, wavenames, ";", inf)
            variable npts = DimSize(w, 0) * max(DimSize(w, 1), 1) * max(DimSize(w, 2), 1) * max(DimSize(w, 3), 1)
            Redimension /n=(npts) w
        else
            abort msg       
        endif
    endif
    return wavenames
end

function /s pmsco_load_xyz(pathname, filename)
    string pathname
    string filename

    string cis = "N=at;N=xx;N=yy;N=zz;"
    LoadWave /A /B=cis /J /K=0 /L={0, 2, 0, 0, 0} /V={" ", " ", 0, 0} /O /P=$pathname filename
    wave /t at
    at = unpadstring(at, 32)
end