<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN"> <!--**************************************************************************** * * * Viewmol * * * * N O D E 2 6 . H T M L * * * * Copyright (c) Joerg-R. Hill, October 2003 * * * ******************************************************************************** *--> <html> <head> <title>10.8 The spectrum module</title> <META NAME="description" CONTENT="10.8 The spectrum module"> <META NAME="keywords" CONTENT="viewmol"> <META NAME="resource-type" CONTENT="document"> <META NAME="distribution" CONTENT="global"> <meta http-equiv="Content-Type" content="text/html; charset=utf-8"> <link rel="STYLESHEET" href="viewmol.css"> <link rel="first" href="viewmol.html"> </head> <body> <H2><A NAME="SECTION0001080000000000000000"> 10.8 The <TT>spectrum</TT> module</A> </H2> <dl><dt><b><a name="l2h-62"><tt class="function">show</tt></a></b>() <dd> Displays the spectrum window for a molecule. </dl> <dl><dt><b><a name="l2h-63"><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 1 and the maximum number of vibrational modes for this molecule. </dl> <dl><dt><b><a name="l2h-64"><tt class="function">deselect</tt></a></b>() <dd> Deselects modes previously selected with a call to <code>mode</code>. </dl> <dl><dt><b><a name="l2h-65"><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 <code>ALLMODES</code>, <code>IRMODES</code>, <code>RAMANMODES</code>, or <code>INSMODES</code> defined in the <code>spectrum</code> module to set the display to all modes, IR active modes, Raman active modes, or inelastic neutron scattering display. </dl> <dl><dt><b><a name="l2h-66"><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 <code>ANIMATE</code>, <code>ARROWS</code>, or <code>DISTORT</code> defined in the <code>spectrum</code> module to display normal modes animated, with arrows, or as distortion. </dl> <dl><dt><b><a name="l2h-67"><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 <code>LINES</code> or <code>GAUSSIANS</code> defined in the <code>spectrum</code> module to set the display style to line spectrum or gaussian spectrum. </dl> <dl><dt><b><a name="l2h-68"><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> <dl><dt><b><a name="l2h-69"><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> <dl><dt><b><a name="l2h-70"><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> <dl><dt><b><a name="l2h-71"><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 <code>TIFF</code>, <code>PNG</code>, <code>HPGL</code>, or <code>POSTSCRIPT</code> defined in the <code>viewmol</code> module, <var>filename</var> the name of the file the drawing is to be saved to. </dl> The spectrum window can be closed by deleting the <code>spectrum</code> object. <P> <p><hr> <ADDRESS> <a href="mailto:joehill@users.sourceforge.net"><i>Jörg-Rüdiger Hill</i></a> Fri Oct 31 14:19:21 CET 2003 </ADDRESS> </BODY> </HTML>
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