<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN"> <!--**************************************************************************** * * * Viewmol * * * * N O D E 2 7 . H T M L * * * * Copyright (c) Joerg-R. Hill, October 2003 * * * ******************************************************************************** *--> <html> <head> <title>10.9 The viewmol module</title> <META NAME="description" CONTENT="10.9 The viewmol 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="SECTION0001090000000000000000"> 10.9 The <TT>viewmol</TT> module</A> </H2> <dl><dt><b><a name="l2h-72"><tt class="function">load</tt></a></b>(<var>filename</var>) <dd> Loads a molecule into V<SMALL>IEWMOL</SMALL>. <var>filename</var> has to be a string containing the name (and path if necessary) of the file to load. </dl> <dl><dt><b><a name="l2h-73"><tt class="function">save</tt></a></b>(<var>molecule, filename, format</var>) <dd> Saves molecule <var>molecule</var> in the format <var>format</var> to file <var>filename</var>. <var>molecule</var> has to be a molecule object, <var>filename</var> a string giving the name of the file (including path, if appropriate) the molecule is to be saved to, and <var>format</var> a string describing the format in which the molecule is to be saved. <var>format</var> can be any of the strings given after the <code>output</code> keyword in <code>viewmolrc</code> (currently <code>car</code>, <code>arc</code>, <code>mol</code>, or <code>tm</code>). </dl> <dl><dt><b><a name="l2h-74"><tt class="function">delete</tt></a></b>(<var>molecule</var>) <dd> Deletes molecule <var>molecule</var>. <var>molecule</var> has to be a molecule object. Note: Molecules cannot be deleted using Python's <code>del</code> operator since Python works on V<SMALL>IEWMOL</SMALL>'s data structures. </dl> <dl><dt><b><a name="l2h-75"><tt class="function">getMolecules</tt></a></b>() <dd> Returns a list of the molecules loaded into V<SMALL>IEWMOL</SMALL>. </dl> <dl><dt><b><a name="l2h-76"><tt class="function">getLights</tt></a></b>() <dd> Returns a list of the available lights. </dl> <dl><dt><b><a name="l2h-77"><tt class="function">getLabels</tt></a></b>() <dd> Returns a list of all labels known to V<SMALL>IEWMOL</SMALL>. </dl> <dl><dt><b><a name="l2h-78"><tt class="function">model</tt></a></b>(<big>[</big><var>model</var><big>]</big>) <dd> Sets or returns the model used to display molecules. <var>model</var> has to be one of the integer constants <code>WIREMODEL</code>, <code>STICKMODEL</code>, <code>BALLMODEL</code>, or <code>CPKMODEL</code> defined in the <code>viewmol</code> module to set the model to wire model, stick model, ball-and-stick model, and CPK model, respectively. </dl> <dl><dt><b><a name="l2h-79"><tt class="function">drawingMode</tt></a></b>(<big>[</big><var>mode</var><big>]</big>) <dd> Sets or returns the drawing mode for molecules. <var>mode</var> has to be one of the integer constants <code>DOT</code>, <code>LINE</code>, or <code>SURFACE</code> defined in the <code>viewmol</code> module to set the drawing mode correspondingly. </dl> <dl><dt><b><a name="l2h-80"><tt class="function">projection</tt></a></b>(<big>[</big><var>projection</var><big>]</big>) <dd> Sets or returns the projection. <var>projection</var> has to be one of the integer constants <code>ORTHO</code> or <code>PERSPECTIVE</code> defined in the <code>viewmol</code> module. </dl> <dl><dt><b><a name="l2h-81"><tt class="function">sphereResolution</tt></a></b>(<big>[</big><var>resolution</var><big>]</big>) <dd> Sets or returns the resolution for spheres and cylinders. <var>resolution</var> has to be an integer. Higher resolutions result in smoother looking spheres and cylinders. </dl> <dl><dt><b><a name="l2h-82"><tt class="function">lineWidth</tt></a></b>(<big>[</big><var>width</var><big>]</big>) <dd> Sets or returns the line width for wire model displays. <var>width</var> has to be an integer. If <var>width</var> is set to zero the line width is calculated based on the size of the window. </dl> <dl><dt><b><a name="l2h-83"><tt class="function">groundColor</tt></a></b>(<big>[</big><var>red, green, blue</var><big>]</big>) <dd> Sets or returns the color of the ground displayed if the projection is set to <code>PERSPECTIVE</code>. <var>red</var>, <var>green</var>, and <var>blue</var> are floats specifying the red, green, and blue components of the ground color. They have to be between 0.0 and 1.0. If the ground color is retrieved, a tupel with the red, green, and blue values is returned. </dl> <dl><dt><b><a name="l2h-84"><tt class="function">backgroundColor</tt></a></b>(<big>[</big><var>red, green, blue</var><big>]</big>) <dd> Sets or returns the color of the background. <var>red</var>, <var>green</var>, and <var>blue</var> are floats specifying the red, green, and blue components of the background color. They have to be between 0.0 and 1.0. If the background color is retrieved, a tupel with the red, green, and blue values is returned. </dl> <dl><dt><b><a name="l2h-85"><tt class="function">labelAtoms</tt></a></b>(<var>status</var>) <dd> Specifies whether atoms should be labeled. <var>status</var> is an integer set to one of the constants <code>ON</code> or <code>OFF</code> defined in the <code>viewmol</code> module. </dl> <dl><dt><b><a name="l2h-86"><tt class="function">saveDrawing</tt></a></b>(<var>format, filename</var>) <dd> Saves the drawing to file. <var>format</var> has to be one of the constants <code>TIFF</code>, <code>PNG</code>, <code>HPGL</code>, <code>POSTSCRIPT</code>, or <code>RAYTRACER</code> defined in the <code>viewmol</code> module, <var>filename</var> the name of the file the drawing is to be saved to. </dl> <dl><dt><b><a name="l2h-87"><tt class="function">isosurface</tt></a></b>(<big>[</big><var>level</var><big>]</big>) <dd> Sets or returns which isosurface to display for wave function related drawings. <var>level</var> has to be a double. </dl> <dl><dt><b><a name="l2h-88"><tt class="function">showThermodynamics</tt></a></b>(<big>[</big><var>select</var><big>]</big>) <dd> Displays the thermodynamics dialog. <var>select</var> is an integer specifying which tab to display. This integer has to be either the integer constant <code>REACTION</code> defined in the <code>viewmol</code> module or an integer between 1 and the number of molecule loaded. In the first case the reaction page is displayed, in all other cases the page for the corresponding molecule is shown. </dl> <dl><dt><b><a name="l2h-89"><tt class="function">redraw</tt></a></b>() <dd> Redraws the main window of V<SMALL>IEWMOL</SMALL>. Redraws are necessary to make changes visible performed using other methods of the <code>viewmol</code> module. </dl> <dl><dt><b><a name="l2h-90"><tt class="function">getFramesPerSecond</tt></a></b>() <dd> Returns the drawing speed of the last redraw of V<SMALL>IEWMOL</SMALL>'s main window in frames per second. </dl> <dl><dt><b><a name="l2h-91"><tt class="function">write</tt></a></b>(<var>string</var>) <dd> Write <var>string</var> to the Python message dialog. </dl> <dl><dt><b><a name="l2h-92"><tt class="function">registerMenuItem</tt></a></b>(<var>moduleName</var>) <dd> Add <var>moduleName</var> to the ``Run script" menu. </dl> <dl><dt><b><a name="l2h-93"><tt class="function">showWarnings</tt></a></b>(<var>warning</var>) <dd> Controls the display of warning messages. <var>warning</var> is an integer set to one of the constants <code>ON</code> or <code>OFF</code> defined in the <code>viewmol</code> module. If warnings are turned off no dialog boxes requiring user interaction are displayed while a Python script is running. </dl> <dl><dt><b><a name="l2h-94"><tt class="function">getWindowSize</tt></a></b>() <dd> Returns a tupel containing the size of V<SMALL>IEWMOL</SMALL>'s main window in pixels. The tupel consists of <var>(width, height)</var>. </dl> <dl><dt><b><a name="l2h-95"><tt class="function">quit</tt></a></b>() <dd> Quits V<SMALL>IEWMOL</SMALL>. </dl> <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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