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<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>
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