source: trunk/gsasmenu.tcl @ 712

# $Id: gsasmenu.tcl 700 2009-12-04 23:10:33Z toby $
# $Revision: 700 $ $Date: 2009-12-04 23:10:33 +0000 (Fri, 04 Dec 2009) $
# menu information for GSAS programs

# menu items to be created (N.B. File, Options & Help already exist)
set expgui(menunames) {Powder Xtal Graphs Results Calc Import/Export}

# contents of each menu
array set expgui_menulist {
    file {
        EraseHistory
        convert
        dlst
    }
    option {
        {liveplot_options}
    }
    powder {
        expedt
        powpref
        genles
        powplot
        rawplot
        fitspec
        tofnorm
        bkgedit
        excledt
        instedit
    }
    xtal {
        expedt
        genles
        cad4rd
        p3r3data
        sxtldata
        scabs
        scmerge
        sxtldata
    }
    graphs {
        forplot
        polfplot
        powplot
        ortep
        rawplot
        fourier
        forsrh
        liveplot
        vrstplot
        widplt 
        absplt 
    }
    calc {
        cllchg
        fprime
        hklgen
        rducll
        spcgroup
        unimol
    }
    import/export {
        hklsort
        pubtable
        convert
        cad4rd
        dbwscnv
        x17bcnv
        p3r3data
        sxtldata
        gsas2pdb
        ref2asc
        ref2bin
    }
    results {
        bijcalc
        disagl
        reflist
        geometry
        hstdmp
        istats
        rcalc
        composition
        lstview
        ramafit
    }
}

array set expgui_cmdlist {

    Save {- {
        Saves modifications to the current experiment file to disk}
    }

    {Save As} {- {
        Saves modifications to the current experiment file to disk
        under a new file name }
    }

    {Reread .EXP file} {- {
        Reread the last saved version of the experiment file from disk.

        This causes any unsaved changes to be lost.}
    }

    {Sort atoms by}  {- {
        Determines the order that atoms are displayed on the "Phase" page
        Atoms may be displayed sorted by atom number, atom type, 
        or by x, y or z}
    }

    {Sort histograms by}  {- {
        Determines the order that histograms are displayed on the 
        Histogram, Scaling and Profile pages

        Histograms may be sorted by histogram number, histogram type, 
        original bank number, or diffraction angle/wavelength}
    }

    {Multiple hist. selection}  {- {
        When this mode is off, it is possible to modify parameters
        and refinement flags for only a single histogram. For other settings,
        it is possible to modify parameters and flags for groups of 
        histograms (see help for Mouse actions). 

        It does not make sense, however, to globally modify
        instrument-related parameters and flags for histograms of different
        types (e.g. TOF, CW Neutron,...). So if all histogram types can
        be selected, the Histogram and Profile pages are disabled. If the
        multiple histogram selection is set to TOF, CW Neutron,... 
        it is possible to modify Histogram and Profile parameters for
        groups of similar type histograms.

        Note that profile terms may also be grouped together when more than
        one phase has the same profile function, or may not be grouped 
        together, depending on the "Group Phases Together" option.}
    }

    {Mouse actions}  {- {
        A range of atoms or (in multiple selection mode) histograms may be 
        selected by dragging (holding down) the left mouse button. It is also 
        possible to select a range by using the Shift key with the 
        left mouse button. To select or deselect individual entries, use the 
        Control key with the left mouse button. The right mouse button selects
        all entries.}
   }

    expnam {readnewexp {
        Select an existing or new GSAS experiment to be used}
    }

    {archive EXP} {- {
        Toggles archiving of .EXP files. When on, files are 
        saved prior to each save or run of expedt in a file named 

        <expnam>.Oxx where xx = 01, 02... FF}
    }

    showhelp    {showhelp {
        Show the help information for commands and actions}
    }

    powpref     {{runGSASwEXP $cmd} {
        Powder data preparation}   
        {-underline 0}
    }

    bijcalc     {{runGSASwEXP $cmd} {
        Thermal parameter analysis}  
    }

    powplot     {{runGSASwEXP $cmd 1} {
        Display powder patterns}
    }

    cllchg      {{runGSASwEXP $cmd} {
        Transform unit cell}
    }

    expedt      {{runGSASwEXP $cmd} {
        Run GSAS experiment editor}
        {-underline 0}
    }

    genles      {{runGSASwEXP $cmd} {
        Run General Least Squares program}
        {-underline 0}
    }

    disagl      {rundisagl {
        Distance/angle calculations}
    }

    forplot     {{runGSASwEXP $cmd} {
        Display Fourier maps (set Fourier options in EXPEDT 
        and then compute with FOURIER)}
    }

    hstdmp      {{runGSASwEXP $cmd} {
        List powder histogram data}
    }

    cad4rd      {{runGSASwEXP $cmd} {
        Prepare CAD4 single crystal data}
    }

    fourier     {{runGSASwEXP $cmd} {
        Generate Fourier map}
    }

    geometry    {{runGSASwEXP $cmd} {
        Molecular geometry calculations}
    }

    ortep       {{runGSASwEXP $cmd} {
        Draw crystal structure}
    }

    rawplot     {{runGSASprog $cmd} {
        Plot powder data}
    }


    p3r3data    {{runGSASwEXP $cmd} {
        Prepare Siemens/Brucker P3R3 single crystal data}
    }

    forsrh      {{runGSASwEXP $cmd} {
        Search Fourier map for peaks}
    }

    hklsort     {{runGSASwEXP $cmd} {
        Prepare HKL tables}
    }

    polfplot    {{runGSASwEXP $cmd} {
        Display polefigures}
    }

    rducll      {{runGSASprog $cmd} {
        Unit cell reduction}
    }

    sxtldata    {{runGSASwEXP $cmd} {
        Prepare generic single crystal data}
    }

    scabs       {{runGSASwEXP $cmd} {
        Single crystal absorption}
    }

    istats      {{runGSASwEXP $cmd} {
        HKL Intensity statistics}
    }

    reflist     {{runGSASwEXP $cmd} {
        List reflection data}
    }

    scmerge     {{runGSASwEXP $cmd} {
        Sort and merge single crystal data}
    }

    pubtable    {{runGSASwEXP $cmd} {
        Prepare atom parameter tables}
    }

    spcgroup    {{runGSASprog $cmd} {
        Space group symbol interpreter}
    }

    rcalc       {{runGSASwEXP $cmd} {
        Compute reflection resuduals}
    }

    unimol      {{runGSASwEXP $cmd} {
        Unique molecule assembler}
    }

    gsas2cif    {{runGSASwEXP $cmd} {
        Prepare IUCr crystallographic information (CIF) file}
    }

    vrstplot    {{runGSASwEXP $cmd} {
        Create a "virtual reality" (.wrl) plot file}
    }

    fitspec     {{runGSASprog $cmd} {
        Fit a TOF vanadium scattering spectrum}
    }

    tofnorm     {{runGSASprog $cmd} {
        Normalize a TOF spectrum}
    }

    fprime      {{runGSASprog $cmd} {
        Compute f, f', f'' and mu/rho for an element for a range of x-ray wavelengths}
    }

    dbwscnv     {{runGSASprog $cmd} {
        Convert a powder diffraction data file from DBWS format}
    }

    x17bcnv     {{runGSASprog $cmd} {
        Convert an energy dispersive diffractogram data file from NSLS X17b}
    }
    gsas2pdb    {{runGSASprog $cmd} {
        Import (using GSAS2PDB & EXPEDT) and export coordinates (for 
        macromolecular phases) to/from Protein Data Base files.}
    }
    ramafit     {{runGSASprog $cmd} {
        Fits torsion angle distributions, particularly in peptide chains,
        for use in restraints.}
    }
    ref2asc     {{runGSASprog $cmd} {
        Exports a GSAS reflection file to ASCII for use in non-GSAS programs}
    }
    ref2bin     {{runGSASprog $cmd} {
        Imports an ASCII reflection file to the GSAS binary format.}
    }    
    composition {{composition} {
        Compute the unit cell and asymmetric unit contents for each phase
        taking occupancies and site multiplicities into account}
    }

    exp2xtl     {{exp2xtl} {
        Save coordinates for a phase in an MSI xtl format file}
    }

    liveplot    {{liveplot} {
        Create a plot of powder data (automatically updated) }
    }

    bkgedit     {{bkgedit} {
        Fit background function to fixed background points}
    }
    excledt     {{excledit} {
        Edit data limits and excluded data regions}
    }
    instedit    {{EditInstFile} {
        Edit an instrument parameter file}
    }

    {liveplot_options} {liveplotopt {
        Used to set options for liveplot, for example, the 
        histogram to be plotted}
    }
    
    convert     {convfile {
        Convert a standard ASCII file to the direct access format used by GSAS (and for UNIX, the reverse)}
    }

    lstview     {lstview {
        Create a box with scrollbars containing the current .LST file}
    }

    widplt      {widplt {
        Displays the FWHM as a function of Q, 2Theta,... for UVWXY values input or read from an EXP file}
    }
    absplt      {"widplt absplt" {
        Displays the intensity loss (1/Absorption Correction) Q, 2Theta,... for parameter values read from an EXP file}
    }

    "Override backspace" {- {
        This option is available in UNIX only, as there are different
        ways that backspace can be implemented. When option is set 
        as "On," the backspace key is overridden to send a "delete" 
        character. If backspace does not work in a program such as 
        EXPEDT, change try the other setting for this option.}  
    }
    SaveOptions {- {
        Save the current values for "Override backspace", 
        "Sort atoms by", "Sort histograms by" and "archive EXP", etc.
        in ~/.gsas_config (c:\gsas.config)}
    }
    EraseHistory {DeleteHistoryRecords {
        Delete all but a selected number of history records; note that 
        this speeds EXPGUI somewhat. Since the largest number for a 
        history record is 999, the default is to also renumber the 
        records starting with 1}
    }
    exit        {- {
        Exit EXPGUI}
    }
}

# this defines the button bar contents
set expgui(buttonlist) {
        expnam
        expedt
        genles
        powpref
        powplot
        lstview
        liveplot
}