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<H2><A NAME="SECTION0001010000000000000000">
10.1 The <TT>atom</TT> module</A>
</H2>
<dl><dt><b><a name="l2h-1"><tt class="function">getElement</tt></a></b>()
<dd>
Returns the <code>element</code> object for an atom.
</dl>
<dl><dt><b><a name="l2h-2"><tt class="function">coordinates</tt></a></b>(<big>[</big><var>x, y, z</var><big>]</big>)
<dd>
Sets or returns the Cartesian coordinates for an atom. If <var>x</var>, <var>y</var>,
and <var>z</var> are given as doubles the Cartesian coordinates are set to <var>x</var>,
<var>y</var>, and <var>z</var>. Otherwise a tupel with the x, y, and z coordinates and
the name of an atom is returned.
</dl>
<dl><dt><b><a name="l2h-3"><tt class="function">radius</tt></a></b>(<big>[</big><var>rad</var><big>]</big>)
<dd>
Sets or returns the Van der Waals radius for an atom. If <var>rad</var> is given
it has to be a double. The Van der Waals radius is measured in Ångstrøms.
</dl>
<dl><dt><b><a name="l2h-4"><tt class="function">radiusScaleFactor</tt></a></b>(<big>[</big><var>scaleFactor</var><big>]</big>)
<dd>
Sets or returns the scale factor for the radius of an atom. If <var>scaleFactor</var>
is given it has to be a double. The scale factor must be greater than or equal
zero.
</dl>
<dl><dt><b><a name="l2h-5"><tt class="function">neutronScatteringFactor</tt></a></b>(<big>[</big><var>factor</var><big>]</big>)
<dd>
Sets or returns the neutron scattering factor for an atom. If <var>factor</var> is
given it has to be a double. The neutron scattering factor must be greater than
or equal zero.
</dl>
<dl><dt><b><a name="l2h-6"><tt class="function">name</tt></a></b>(<big>[</big><var>name</var><big>]</big>)
<dd>
Sets or returns the name of an atom. If <var>name</var> is given it has to be a
string. The maximum length of the string is eight characters.
</dl>
<dl><dt><b><a name="l2h-7"><tt class="function">replace</tt></a></b>(<var>elementSymbol</var>)
<dd>
Replaces the atom with an atom of element <var>elementSymbol</var>. <var>elementSymbol</var>
has to be a string and a valid element symbol.
</dl>
<dl><dt><b><a name="l2h-8"><tt class="function">delete</tt></a></b>()
<dd>
Deletes this atom. Note: Atoms cannot be deleted using Python's <code>del</code> operator
since Python works on V<SMALL>IEWMOL</SMALL>'s data structures.
</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
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