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<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 3.2 Final//EN">
<!--****************************************************************************
* *
* Viewmol *
* *
* N O D E 2 6 . H T M L *
* *
* Copyright (c) Joerg-R. Hill, December 2000 *
* *
********************************************************************************
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<H2><A NAME="SECTION00099000000000000000">
The <TT>viewmol</TT> module</A>
</H2>
<dl><dt><b><a name='l2h-69'><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>
<P>
<dl><dt><b><a name='l2h-70'><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 <TT>output</TT>
keyword in <TT>viewmolrc</TT> (currently <TT>car</TT>, <TT>arc</TT>, <TT>mol</TT>, or
<TT>tm</TT>).
</dl>
<P>
<dl><dt><b><a name='l2h-71'><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 <TT>del</TT> operator since Python works
on V<SMALL>IEWMOL</SMALL>'s data structures.
</dl>
<P>
<dl><dt><b><a name='l2h-72'><tt class='function'>getMolecules</tt></a></b> ()
<dd>
Returns a list of the molecules loaded into V<SMALL>IEWMOL</SMALL>.
</dl>
<P>
<dl><dt><b><a name='l2h-73'><tt class='function'>getLights</tt></a></b> ()
<dd>
Returns a list of the available lights.
</dl>
<P>
<dl><dt><b><a name='l2h-74'><tt class='function'>getLabels</tt></a></b> ()
<dd>
Returns a list of all labels known to V<SMALL>IEWMOL</SMALL>.
</dl>
<P>
<dl><dt><b><a name='l2h-75'><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 <TT>WIREMODEL</TT>, <TT>STICKMODEL</TT>, <TT>BALLMODEL</TT>, or
<TT>CPKMODEL</TT> defined in the <TT>viewmol</TT> module to set the model to
wire model, stick model, ball-and-stick model, and CPK model, respectively.
</dl>
<P>
<dl><dt><b><a name='l2h-76'><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 <TT>DOT</TT>, <TT>LINE</TT>, or <TT>SURFACE</TT> defined in
the <TT>viewmol</TT> module to set the drawing mode correspondingly.
</dl>
<P>
<dl><dt><b><a name='l2h-77'><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 <TT>ORTHO</TT> or <TT>PERSPECTIVE</TT> defined in the <TT>viewmol</TT> module.
</dl>
<P>
<dl><dt><b><a name='l2h-78'><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>
<P>
<dl><dt><b><a name='l2h-79'><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>
<P>
<dl><dt><b><a name='l2h-80'><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
<TT>PERSPECTIVE</TT>. <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>
<P>
<dl><dt><b><a name='l2h-81'><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>
<P>
<dl><dt><b><a name='l2h-82'><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 <TT>ON</TT> or <TT>OFF</TT> defined in the <TT>viewmol</TT> module.
</dl>
<P>
<dl><dt><b><a name='l2h-83'><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
<TT>TIFF</TT>, <TT>HPGL</TT>, <TT>POSTSCRIPT</TT>, or <TT>RAYSHADE</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>
<dl><dt><b><a name='l2h-84'><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>
<P>
<dl><dt><b><a name='l2h-85'><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 one of the integer
constants <TT>REACTION</TT> or <TT>OFF</TT> defined in the <TT>viewmol</TT>
module or an integer between 1 and the number of molecule loaded. In the
first case the reaction page is displayed, in the second case the thermodynamics
dialog is closed, and in all other cases the page for the corresponding molecule
is shown.
</dl>
<P>
<dl><dt><b><a name='l2h-86'><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 <TT>viewmol</TT> module.
</dl>
<P>
<dl><dt><b><a name='l2h-87'><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>
<P>
<dl><dt><b><a name='l2h-88'><tt class='function'>quit</tt></a></b> ()
<dd>
Quits V<SMALL>IEWMOL</SMALL>.
</dl>
<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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