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<H2><A NAME="SECTION00098000000000000000">
The <TT>spectrum</TT> module</A>
</H2>
<dl><dt><b><a name='l2h-59'><tt class='function'>show</tt></a></b> ()
<dd>
Displays the spectrum window for a molecule.
</dl>
<P>
<dl><dt><b><a name='l2h-60'><tt class='function'>mode</tt></a></b> (<big>[</big><var>mode</var><big>]</big>)
<dd>
Displays the mode specified or returns the mode displayed. <var>mode</var> has to be an
integer between 0 and the maximum number of vibrational modes for this molecule.
</dl>
<P>
<dl><dt><b><a name='l2h-61'><tt class='function'>deselect</tt></a></b> ()
<dd>
Deselects modes previously selected with a call to <TT>mode</TT>.
</dl>
<P>
<dl><dt><b><a name='l2h-62'><tt class='function'>type</tt></a></b> (<big>[</big><var>type</var><big>]</big>)
<dd>
Sets or returns the type of the spectrum displayed. <var>type</var> has to be one of
the integer constants <TT>SPECTRUM_ALL</TT>, <TT>SPECTRUM_IR</TT>, <TT>SPECTRUM_RAMAN</TT>,
or <TT>SPECTRUM_INS</TT> defined in the <TT>spectrum</TT> module to set the display to
all modes, IR active modes, Raman active modes, or inelastic neutron scattering
display.
</dl>
<P>
<dl><dt><b><a name='l2h-63'><tt class='function'>display</tt></a></b> (<big>[</big><var>type</var><big>]</big>)
<dd>
Sets or returns the way normal modes are displayed. <var>type</var> has to be one of
the integer constants <TT>ANIMATE</TT>, <TT>ARROWS</TT>, or <TT>DISTORT</TT> defined
in the <TT>spectrum</TT> module to display normal modes animated, with arrows, or
as distortion.
</dl>
<P>
<dl><dt><b><a name='l2h-64'><tt class='function'>style</tt></a></b> (<big>[</big><var>style</var><big>]</big>)
<dd>
Sets or returns the display style of the spectrum. <var>style</var> has to be one of
the integer constants <TT>LINES</TT> or <TT>GAUSSIANS</TT> defined in the <TT>spectrum</TT>
module to set the display style to line spectrum or gaussian spectrum.
</dl>
<P>
<dl><dt><b><a name='l2h-65'><tt class='function'>amplitude</tt></a></b> (<big>[</big><var>amplitude</var><big>]</big>)
<dd>
Sets or returns the amplitude of a normal mode. <var>amplitude</var> has to be a
double.
</dl>
<P>
<dl><dt><b><a name='l2h-66'><tt class='function'>scaleFactor</tt></a></b> (<big>[</big><var>factor</var><big>]</big>)
<dd>
Sets or returns the scale factor for the wave numbers in a spectrum.
<var>factor</var> has to be a double.
</dl>
<P>
<dl><dt><b><a name='l2h-67'><tt class='function'>zoom</tt></a></b> (<var>x1, y1, x2, y2</var>)
<dd>
Sets the zoom of the spectrum. <var>x1</var>, <var>y1</var>, <var>x2</var>, and <var>y2</var> are
doubles specifying the minimum and maximum values of wave numbers and intensities,
respectively, to be displayed. <var>x1</var> and <var>x2</var> as well as <var>y1</var> and
<var>y2</var> cannot be equal.
</dl>
<P>
<dl><dt><b><a name='l2h-68'><tt class='function'>saveDrawing</tt></a></b> (<var>format, filename</var>)
<dd>
Saves the spectrum to file. <var>format</var> has to be one of the constants
<TT>TIFF</TT>, <TT>HPGL</TT>, or <TT>POSTSCRIPT</TT> defined in the <TT>viewmol</TT>
module, <var>filename</var> the name of the file the drawing is to be saved to.
</dl>
<P>
The spectrum window can be closed by deleting the spectrum object.
<P>
<BR><HR>
<ADDRESS>
<A HREF="mailto:joehill@users.sourceforge.net"><I>Jrg-Rdiger Hill</I></A><BR>Sun Dec 10 17:38:35 MET 2000
</ADDRESS>
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