10.8 The spectrum module

show()
Displays the spectrum window for a molecule.
mode([mode])
Displays the mode specified or returns the mode displayed. mode has to be an integer between 1 and the maximum number of vibrational modes for this molecule.
deselect()
Deselects modes previously selected with a call to mode.
type([type])
Sets or returns the type of the spectrum displayed. type has to be one of the integer constants ALLMODES, IRMODES, RAMANMODES, or INSMODES defined in the spectrum module to set the display to all modes, IR active modes, Raman active modes, or inelastic neutron scattering display.
display([type])
Sets or returns the way normal modes are displayed. type has to be one of the integer constants ANIMATE, ARROWS, or DISTORT defined in the spectrum module to display normal modes animated, with arrows, or as distortion.
style([style])
Sets or returns the display style of the spectrum. style has to be one of the integer constants LINES or GAUSSIANS defined in the spectrum module to set the display style to line spectrum or gaussian spectrum.
amplitude([amplitude])
Sets or returns the amplitude of a normal mode. amplitude has to be a double.
scaleFactor([factor])
Sets or returns the scale factor for the wave numbers in a spectrum. factor has to be a double.
zoom(x1, y1, x2, y2)
Sets the zoom of the spectrum. x1, y1, x2, and y2 are doubles specifying the minimum and maximum values of wave numbers and intensities, respectively, to be displayed. x1 and x2 as well as y1 and y2 cannot be equal.
saveDrawing(format, filename)
Saves the spectrum to file. format has to be one of the constants TIFF, PNG, HPGL, or POSTSCRIPT defined in the viewmol module, filename the name of the file the drawing is to be saved to.
The spectrum window can be closed by deleting the spectrum object.


Jörg-Rüdiger Hill Fri Oct 31 14:19:21 CET 2003