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<hr><h1>sc::AtomInfo Class Reference</h1>The <a class="el" href="class_sc__AtomInfo.html">AtomInfo</a> class provides information about atoms.
<a href="#_details">More...</a>
<p>
<code>#include <<a class="el" href="atominfo_h-source.html">atominfo.h</a>></code>
<p>
Inheritance diagram for sc::AtomInfo<p><center><img src="class_sc__AtomInfo_inherit_graph.gif" border="0" usemap="#sc::AtomInfo_inherit_map" alt="Inheritance graph"></center>
<map name="sc::AtomInfo_inherit_map">
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<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center>Collaboration diagram for sc::AtomInfo:<p><center><img src="class_sc__AtomInfo_coll_graph.gif" border="0" usemap="#sc::AtomInfo_coll_map" alt="Collaboration graph"></center>
<map name="sc::AtomInfo_coll_map">
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<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="class_sc__AtomInfo-members.html">List of all members.</a><table border=0 cellpadding=0 cellspacing=0>
<tr><td colspan=2><br><h2>Public Methods</h2></td></tr>
<tr><td nowrap align=right valign=top><a name="a0" doxytag="sc::AtomInfo::AtomInfo"></a>
</td><td valign=bottom><b>AtomInfo</b> ()</td></tr>
<tr><td nowrap align=right valign=top><a name="a1" doxytag="sc::AtomInfo::AtomInfo"></a>
</td><td valign=bottom><b>AtomInfo</b> (const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__KeyVal.html">KeyVal</a> > &)</td></tr>
<tr><td nowrap align=right valign=top><a name="a2" doxytag="sc::AtomInfo::AtomInfo"></a>
</td><td valign=bottom><b>AtomInfo</b> (<a class="el" href="class_sc__StateIn.html">StateIn</a> &)</td></tr>
<tr><td nowrap align=right valign=top><a name="a3" doxytag="sc::AtomInfo::~AtomInfo"></a>
</td><td valign=bottom><b>~AtomInfo</b> ()</td></tr>
<tr><td nowrap align=right valign=top>void </td><td valign=bottom><a class="el" href="class_sc__AtomInfo.html#a4">save_data_state</a> (<a class="el" href="class_sc__StateOut.html">StateOut</a> &s)</td></tr>
<tr><td> </td><td><font size=-1><em>Save the base classes (with save_data_state) and the members in the same order that the <a class="el" href="class_sc__StateIn.html">StateIn</a> CTOR initializes them.</em> <a href="#a4">More...</a><em></em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a5" doxytag="sc::AtomInfo::vdw_radius"></a>
double </td><td valign=bottom><a class="el" href="class_sc__AtomInfo.html#a5">vdw_radius</a> (int Z) const</td></tr>
<tr><td> </td><td><font size=-1><em>These return various measures of the atom's radius.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a6" doxytag="sc::AtomInfo::bragg_radius"></a>
double </td><td valign=bottom><b>bragg_radius</b> (int Z) const</td></tr>
<tr><td nowrap align=right valign=top><a name="a7" doxytag="sc::AtomInfo::atomic_radius"></a>
double </td><td valign=bottom><b>atomic_radius</b> (int Z) const</td></tr>
<tr><td nowrap align=right valign=top><a name="a8" doxytag="sc::AtomInfo::maxprob_radius"></a>
double </td><td valign=bottom><b>maxprob_radius</b> (int Z) const</td></tr>
<tr><td nowrap align=right valign=top><a name="a9" doxytag="sc::AtomInfo::ip"></a>
double </td><td valign=bottom><a class="el" href="class_sc__AtomInfo.html#a9">ip</a> (int Z) const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the atomization potential for atomic number Z.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a10" doxytag="sc::AtomInfo::vdw_radius_scale"></a>
double </td><td valign=bottom><a class="el" href="class_sc__AtomInfo.html#a10">vdw_radius_scale</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Return the scale factor for the VdW radii.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a11" doxytag="sc::AtomInfo::bragg_radius_scale"></a>
double </td><td valign=bottom><a class="el" href="class_sc__AtomInfo.html#a11">bragg_radius_scale</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Return the scale factor for the Bragg radii.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a12" doxytag="sc::AtomInfo::atomic_radius_scale"></a>
double </td><td valign=bottom><a class="el" href="class_sc__AtomInfo.html#a12">atomic_radius_scale</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Return the scale factor for the atomic radii.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a13" doxytag="sc::AtomInfo::maxprob_radius_scale"></a>
double </td><td valign=bottom><a class="el" href="class_sc__AtomInfo.html#a13">maxprob_radius_scale</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Return the scale factor for the maximum probability radii.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a14" doxytag="sc::AtomInfo::rgb"></a>
double </td><td valign=bottom><a class="el" href="class_sc__AtomInfo.html#a14">rgb</a> (int Z, int color) const</td></tr>
<tr><td> </td><td><font size=-1><em>These return information about the color of the atom for visualization programs.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a15" doxytag="sc::AtomInfo::red"></a>
double </td><td valign=bottom><b>red</b> (int Z) const</td></tr>
<tr><td nowrap align=right valign=top><a name="a16" doxytag="sc::AtomInfo::green"></a>
double </td><td valign=bottom><b>green</b> (int Z) const</td></tr>
<tr><td nowrap align=right valign=top><a name="a17" doxytag="sc::AtomInfo::blue"></a>
double </td><td valign=bottom><b>blue</b> (int Z) const</td></tr>
<tr><td nowrap align=right valign=top><a name="a18" doxytag="sc::AtomInfo::mass"></a>
double </td><td valign=bottom><a class="el" href="class_sc__AtomInfo.html#a18">mass</a> (int Z) const</td></tr>
<tr><td> </td><td><font size=-1><em>This returns the mass of the most abundant isotope.</em></font><br><br></td></tr>
<tr><td colspan=2><br><h2>Static Public Methods</h2></td></tr>
<tr><td nowrap align=right valign=top><a name="d0" doxytag="sc::AtomInfo::name"></a>
const char* </td><td valign=bottom><a class="el" href="class_sc__AtomInfo.html#d0">name</a> (int Z)</td></tr>
<tr><td> </td><td><font size=-1><em>This returns the full name of the element.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="d1" doxytag="sc::AtomInfo::symbol"></a>
const char* </td><td valign=bottom><a class="el" href="class_sc__AtomInfo.html#d1">symbol</a> (int Z)</td></tr>
<tr><td> </td><td><font size=-1><em>This returns the symbol for the element.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="d2" doxytag="sc::AtomInfo::string_to_Z"></a>
int </td><td valign=bottom><a class="el" href="class_sc__AtomInfo.html#d2">string_to_Z</a> (const char *, int allow_exceptions=1)</td></tr>
<tr><td> </td><td><font size=-1><em>This converts a name or symbol to the atomic number.</em></font><br><br></td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
The <a class="el" href="class_sc__AtomInfo.html">AtomInfo</a> class provides information about atoms.
<p>
The information is kept in a file named atominfo.kv in the SC library directory. That information can be overridden by the user.
<p>
<hr><h2>Member Function Documentation</h2>
<a name="a4" doxytag="sc::AtomInfo::save_data_state"></a><p>
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<td nowrap valign="top"><b>
void sc::AtomInfo::save_data_state (
</b></td>
<td valign="bottom"><b>
<a class="el" href="class_sc__StateOut.html">StateOut</a> & <em>s</em> )<code> [virtual]</code>
</b></td>
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</table>
</td>
</tr>
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<td>
</td>
<td>
<p>
Save the base classes (with save_data_state) and the members in the same order that the <a class="el" href="class_sc__StateIn.html">StateIn</a> CTOR initializes them.
<p>
This must be implemented by the derived class if the class has data.
<p>
Reimplemented from <a class="el" href="class_sc__SavableState.html#a5">sc::SavableState</a>. </td>
</tr>
</table>
<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="atominfo_h-source.html">atominfo.h</a></ul>
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