<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN"> <!--**************************************************************************** * * * Viewmol * * * * N O D E 2 1 . H T M L * * * * Copyright (c) Joerg-R. Hill, October 2003 * * * ******************************************************************************** *--> <html> <head> <title>10.3 The energylevel module</title> <META NAME="description" CONTENT="10.3 The energylevel 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="SECTION0001030000000000000000"> 10.3 The <TT>energylevel</TT> module</A> </H2> <dl><dt><b><a name="l2h-17"><tt class="function">show</tt></a></b>() <dd> Displays the energy level diagram window for a molecule. </dl> <dl><dt><b><a name="l2h-18"><tt class="function">unit</tt></a></b>(<big>[</big><var>unit</var><big>]</big>) <dd> Sets or returns the energy unit for the energy level diagram. <var>unit</var> has to be one of the integer constants <code>HARTREE</code>, <code>KJ/MOL</code>, <code>EV</code>, or <code>1/CM</code> defined in the <code>energylevel</code> module. </dl> <dl><dt><b><a name="l2h-19"><tt class="function">resolution</tt></a></b>(<big>[</big><var>resolution</var><big>]</big>) <dd> Sets or returns the resolution for the energy level diagram. <var>resolution</var> has to be a double greater than zero. </dl> <dl><dt><b><a name="l2h-20"><tt class="function">mode</tt></a></b>(<big>[</big><var>mode</var><big>]</big>) <dd> Sets or returns the mode for the energy level diagram. <var>mode</var> has to be one of the integer constants <code>ENERGY_LEVELS</code> or <code>DENSITY_OF_STATES</code> defined in the <code>energylevel</code> module. </dl> <dl><dt><b><a name="l2h-21"><tt class="function">selectMO</tt></a></b>(<var>mo1, </var><big>[</big><var>mo2</var><big>]</big>) <dd> Selects one or two molecular orbitals. <var>mo1</var> and <var>mo2</var> have to be integers between 0 and the number of molecular orbitals. </dl> <dl><dt><b><a name="l2h-22"><tt class="function">deselect</tt></a></b>() <dd> Deselects molecular orbitals which have been selected with a call to <code>selectMO</code>. </dl> <dl><dt><b><a name="l2h-23"><tt class="function">saveDrawing</tt></a></b>(<var>format, filename</var>) <dd> Saves the energy level diagram to file. <var>format</var> has to be one of the integer constants <code>TIFF</code>, <code>PNG</code>, <code>HPGL</code>, or <code>POSTSCRIPT</code> defined in the <code>viewmol</code> module. <var>filename</var> has to be a string containing the name of the file the drawing is saved to. </dl> The energy level diagram window can be closed by deleting the <code>energylevel</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>