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	      CRYstalline Structures and DENsities

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XCrySDen Scripting Documentation

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    ScriptingExamples/contours.tcl


Generated from contours.tcl with ROBODoc v3.2.4 on Wed May 25 16:04:51 2005


ScriptingExamples/contours.tcl

NAME
 contours.tcl -- plots contours+colorplane from XSF

USAGE
 xcrysden --script contours.tcl

COPYRIGHT
 Anton Kokalj (C) 2003

PURPOSE
 This is a scripting example that shows how to produce colorplane and
 isoline plot by loading the XSF file which contains the description
 of the 2D scalar field.

AUTHOR
 Anton Kokalj

CREATION DATE
 Sometime in February 2003
 
SOURCE
    # ------------------------------------------------------------------------
    # load the structure (the argument to scription:open is the command line
    # ------------------------------------------------------------------------
    
    scripting::open --xsf $env(XCRYSDEN_TOPDIR)/examples/Xcrysden_Structure_Files/mol-urea2D.xsf
    
    
    
    # ------------------------------------------------------------------------
    # display the structure in appropriate display-mode
    # ------------------------------------------------------------------------
    
    #-----
    # uncomment this is for Lighting-On modes:
    #-----
    scripting::lighting On
    
    # choose a 3D-display mode
    
    #scripting::displayMode3D Stick
    scripting::displayMode3D Pipe&Ball
    #scripting::displayMode3D BallStick
    #scripting::displayMode3D SpaceFill
    #----
    
    
    
    # ------------------------------------------------------------------------
    # zoom and rotate the structure 
    # ------------------------------------------------------------------------
    
    scripting::zoom +0.1 
    scripting::rotate x -90 
    scripting::rotate y -90 
    
    
    # ------------------------------------------------------------------------
    # load the 3D scalar field
    # ------------------------------------------------------------------------
    
    scripting::scalarField2D::load
    
    
    #
    # description of scripting::scalarField2D::configure options:
    #
    # ------------------------------------------------------------------------
    #   OPTION::                 ALLOWED-VALUES + Description          STATUS
    # ------------------------------------------------------------------------
    #   -interpolation_degree    integer                             OPTIONAL
    #                            degree of scalar-field interpolation
    #
    #   -colorbasis              MONOCHROME|RAINBOW|RGB|GEOGRAPHIC|BLUE-WHITE-RED
    #                            the color basis for the colorplane
    #
    #   -scalefunction           LINEAR|LOG10|SQRT|3th-ROOT|EXP(x)|EXP(x^2)
    #                            the scalefunctions for contour/colorplane plots
    #
    #   -expand2D                none|whole|specify
    #                            none = do not expand the contour/colorplane plots
    #                                   along the periodic directions
    #                            whole = expand the contour/colorplane plots
    #                                    over the whole structure along the 
    #                                    periodic directions
    #                            specify = expand the contour/colorplane plots
    #                                    along the periodic directions as specified
    #                                    by -expand2D_X, -expand2D_Y, and 
    #                                    -expand2D_Z factors
    #
    #   -expand2D_X              positive-integer
    #                            expand  contour/colorplane n-times along the 1st
    #                            periodic dimension
    #
    #
    #   -expand2D_Y              positive-integer
    #                            expand  contour/colorplane n-times along the 2nd
    #                            periodic dimension
    #
    #   -expand2D_Z              positive-integer
    #                            expand  contour/colorplane n-times along the 3rd
    #                            periodic dimension
    #
    #   -colorplane              0|1
    #                            do not display|display the colorplane
    #
    #   -isoline                 0|1
    #                            do not display|display the isolines
    #             
    #   -colorplane_lighting     0|1
    #                            0 = do not perform lighting for colorplane
    #                            1 = perform lighting for colorplane
    #
    #   -cpl_transparency        0|1
    #                            0 = render colorplane as non-transparent
    #                            1 = render colorplane as transparent
    #
    #   -cpl_thermometer         0|1
    #                            0 = do not make a legend (i.e. thermometer) for 
    #                                colorplane colors
    #                            1 = make a legend (i.e. thermometer) for 
    #                                colorplane colors
    #
    #   -2Dlowvalue              real
    #                            minimum rendered value of colorplane/isolines
    #
    #   -2Dhighvalue             real
    #                            maximum rendered value of colorplane/isolines
    #              
    #   -2Dnisoline              positive-integer
    #                            number of isoline
    #
    #   -isoline_color           monocolor|{property color}
    #                            monocolor = all isolines have the same color
    #                            {property color} = isolines are colorer according
    #                            to color-basis
    #
    #   -isoline_width           positive-integer
    #                            width (i.e. thickness) of isolines
    #
    #   -isoline_monocolor       #rgb
    #                            color of the monolor-type isolines
    #
    # ------------------------------------------------------------------------
    #
    #
    # Example:
    #
    # scripting::scalarField2D::configure \
    #     -interpolation_degree 2 \
    #     -colorbasis           RAINBOW \
    #     -scalefunction        LOG10 \
    #     -expand2D             specify \
    #     -expand2D_X           1 \
    #     -expand2D_Y           1 \
    #     -expand2D_Z           1 \
    #     -colorplane           1 \
    #     -isoline              1 \
    #     -colorplane_lighting  0 \
    #     -cpl_transparency     0 \
    #     -cpl_thermometer      1 \
    #     -2Dlowvalue           +0.00001 \
    #     -2Dhighvalue          +0.1 \
    #     -2Dnisoline           5 \
    #     -isoline_color        monocolor \
    #     -isoline_width        3 \
    #     -isoline_monocolor    \#ffffff
    # 
    
    
    # ------------------------------------------------------------------------
    # configure, i.e., specify how to render the scalar field
    # ------------------------------------------------------------------------
    scripting::scalarField2D::configure \
        -interpolation_degree 3 \
        -colorbasis           BLUE-WHITE-RED \
        -scalefunction        LINEAR \
        -colorplane           1 \
        -isoline              1 \
        -colorplane_lighting  0 \
        -cpl_transparency     0 \
        -cpl_thermometer      1 \
        -2Dlowvalue           -0.1 \
        -2Dhighvalue          +0.1 \
        -2Dnisoline           11 \
        -isoline_color        monocolor \
        -isoline_width        3 \
        -isoline_monocolor    \#000000
    
    
    # ------------------------------------------------------------------------
    # hide the propertyplane control window
    # ------------------------------------------------------------------------
    
    IsoControl_Hide .iso2D
    # alternatively you could do
    #wm withdraw .iso2D
    
    
    # ------------------------------------------------------------------------
    # render the 2D scalar field as requested by 
    # scripting::scalarField2D::configure
    # ------------------------------------------------------------------------
    
    scripting::scalarField2D::render
    
    
    # ------------------------------------------------------------------------
    # now lets print to file what we have on the display window
    # ------------------------------------------------------------------------
    
    # this will query the filename:
    scripting::printToFile; # here the colorplane legend is NOT printed 
    
    # # while this will print directly to print.png:
    # scripting::printToFile print.png; # here the colorplane legend is printed 
    
    # # while this will print directly to print.png:
    # scripting::printToFile print.png windowdump; # here the colorplane legend is printed    
    


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This document was last modified on Tue May 31 10:23:34 CEST 2005