- 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 0 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 SPECTRUM_ALL, SPECTRUM_IR, SPECTRUM_RAMAN,
or SPECTRUM_INS 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, 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
Sun Dec 10 17:38:35 MET 2000