Generated from contours.tcl with ROBODoc v3.2.4 on Wed May 25 16:04:51 2005
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
![[Figure]](img/xcrysden-picture-small-new.jpg)