<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd"> <html xmlns="http://www.w3.org/1999/xhtml"> <head> <meta http-equiv="Content-Type" content="text/xhtml;charset=UTF-8"/> <title>The Gnome Chemistry Utils: GcuAtomicRadius Struct Reference</title> <link href="tabs.css" rel="stylesheet" type="text/css"/> <link href="doxygen.css" rel="stylesheet" type="text/css"/> </head> <body> <!-- Generated by Doxygen 1.7.4 --> <div id="top"> <div id="titlearea"> <table cellspacing="0" cellpadding="0"> <tbody> <tr style="height: 56px;"> <td style="padding-left: 0.5em;"> <div id="projectname">The Gnome Chemistry Utils <span id="projectnumber">0.13.5</span></div> </td> </tr> </tbody> </table> </div> <div id="navrow1" class="tabs"> <ul class="tablist"> <li><a href="index.html"><span>Main Page</span></a></li> <li><a href="namespaces.html"><span>Namespaces</span></a></li> <li class="current"><a 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name="pub-attribs"></a> Public Attributes</h2></td></tr> <tr><td class="memItemLeft" align="right" valign="top">unsigned char </td><td class="memItemRight" valign="bottom"><a class="el" href="structGcuAtomicRadius.html#accc306eb13b178b12586ad329632b936">Z</a></td></tr> <tr><td class="memItemLeft" align="right" valign="top">enum <a class="el" href="chemistry_8h.html#a9727e94d105ee7c3991d6abc884c5501">gcu_radius_type</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="structGcuAtomicRadius.html#a9807e2d9b1666b6c8d2a0d08a790d925">type</a></td></tr> <tr><td class="memItemLeft" align="right" valign="top"><a class="el" href="structGcuDimensionalValue.html">GcuDimensionalValue</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="structGcuAtomicRadius.html#aaa4d71c6b37a0dbbb83b2a324bc191e9">value</a></td></tr> <tr><td class="memItemLeft" align="right" valign="top">char </td><td class="memItemRight" valign="bottom"><a class="el" href="structGcuAtomicRadius.html#aa01403c7070024b22af961c5fa5b848f">charge</a></td></tr> <tr><td class="memItemLeft" align="right" valign="top">char const * </td><td class="memItemRight" valign="bottom"><a class="el" href="structGcuAtomicRadius.html#ad5db8d71303f2e9da28f1cef1807478d">scale</a></td></tr> <tr><td class="memItemLeft" align="right" valign="top">char </td><td class="memItemRight" valign="bottom"><a class="el" href="structGcuAtomicRadius.html#a98145ae3bf6fedffd53614f5bb47d2e3">cn</a></td></tr> <tr><td class="memItemLeft" align="right" valign="top">enum <a class="el" href="chemistry_8h.html#a22b7c0b822ebadd84b01ed5294e1903d">gcu_spin_state</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="structGcuAtomicRadius.html#a114f2925439ce48588e5e5119fe1cd56">spin</a></td></tr> </table> <hr/><a name="details" id="details"></a><h2>Detailed Description</h2> <div class="textblock"><p><a class="el" href="structGcuAtomicRadius.html">GcuAtomicRadius</a> Structure used to describe an atomic radius. </p> <p>Definition at line <a class="el" href="chemistry_8h_source.html#l00133">133</a> of file <a class="el" href="chemistry_8h_source.html">chemistry.h</a>.</p> </div><hr/><h2>Member Data Documentation</h2> <a class="anchor" id="aa01403c7070024b22af961c5fa5b848f"></a><!-- doxytag: member="GcuAtomicRadius::charge" ref="aa01403c7070024b22af961c5fa5b848f" args="" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">char <a class="el" href="structGcuAtomicRadius.html#aa01403c7070024b22af961c5fa5b848f">GcuAtomicRadius::charge</a></td> </tr> </table> </div> <div class="memdoc"> <p>The charge of the atom (or ion). </p> <p>Definition at line <a class="el" href="chemistry_8h_source.html#l00142">142</a> of file <a class="el" href="chemistry_8h_source.html">chemistry.h</a>.</p> </div> </div> <a class="anchor" id="a98145ae3bf6fedffd53614f5bb47d2e3"></a><!-- doxytag: member="GcuAtomicRadius::cn" ref="a98145ae3bf6fedffd53614f5bb47d2e3" args="" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">char <a class="el" href="structGcuAtomicRadius.html#a98145ae3bf6fedffd53614f5bb47d2e3">GcuAtomicRadius::cn</a></td> </tr> </table> </div> <div class="memdoc"> <p>the coordination number of the atom or -1 if unknown. </p> <p>Definition at line <a class="el" href="chemistry_8h_source.html#l00146">146</a> of file <a class="el" href="chemistry_8h_source.html">chemistry.h</a>.</p> </div> </div> <a class="anchor" id="ad5db8d71303f2e9da28f1cef1807478d"></a><!-- doxytag: member="GcuAtomicRadius::scale" ref="ad5db8d71303f2e9da28f1cef1807478d" args="" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">char const* <a class="el" href="structGcuAtomicRadius.html#ad5db8d71303f2e9da28f1cef1807478d">GcuAtomicRadius::scale</a></td> </tr> </table> </div> <div class="memdoc"> <p>The scale name, e.g. "Pauling" or "Shannon". </p> <p>Definition at line <a class="el" href="chemistry_8h_source.html#l00144">144</a> of file <a class="el" href="chemistry_8h_source.html">chemistry.h</a>.</p> </div> </div> <a class="anchor" id="a114f2925439ce48588e5e5119fe1cd56"></a><!-- doxytag: member="GcuAtomicRadius::spin" ref="a114f2925439ce48588e5e5119fe1cd56" args="" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">enum <a class="el" href="chemistry_8h.html#a22b7c0b822ebadd84b01ed5294e1903d">gcu_spin_state</a> <a class="el" href="structGcuAtomicRadius.html#a114f2925439ce48588e5e5119fe1cd56">GcuAtomicRadius::spin</a></td> </tr> </table> </div> <div class="memdoc"> <p>The spin state (unknown, low or high). </p> <p>Definition at line <a class="el" href="chemistry_8h_source.html#l00148">148</a> of file <a class="el" href="chemistry_8h_source.html">chemistry.h</a>.</p> </div> </div> <a class="anchor" id="a9807e2d9b1666b6c8d2a0d08a790d925"></a><!-- doxytag: member="GcuAtomicRadius::type" ref="a9807e2d9b1666b6c8d2a0d08a790d925" args="" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">enum <a class="el" href="chemistry_8h.html#a9727e94d105ee7c3991d6abc884c5501">gcu_radius_type</a> <a class="el" href="structGcuAtomicRadius.html#a9807e2d9b1666b6c8d2a0d08a790d925">GcuAtomicRadius::type</a></td> </tr> </table> </div> <div class="memdoc"> <p>The radius type (unknown, ionic, metallic, covalent, or van der Waals). </p> <p>Definition at line <a class="el" href="chemistry_8h_source.html#l00138">138</a> of file <a class="el" href="chemistry_8h_source.html">chemistry.h</a>.</p> </div> </div> <a class="anchor" id="aaa4d71c6b37a0dbbb83b2a324bc191e9"></a><!-- doxytag: member="GcuAtomicRadius::value" ref="aaa4d71c6b37a0dbbb83b2a324bc191e9" args="" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname"><a class="el" href="structGcuDimensionalValue.html">GcuDimensionalValue</a> <a class="el" href="structGcuAtomicRadius.html#aaa4d71c6b37a0dbbb83b2a324bc191e9">GcuAtomicRadius::value</a></td> </tr> </table> </div> <div class="memdoc"> <p>The radius value (the unit should always be pm). </p> <p>Definition at line <a class="el" href="chemistry_8h_source.html#l00140">140</a> of file <a class="el" href="chemistry_8h_source.html">chemistry.h</a>.</p> <p>Referenced by <a class="el" href="gcr_2atom_8h_source.html#l00166">gcr::Atom::r()</a>.</p> </div> </div> <a class="anchor" id="accc306eb13b178b12586ad329632b936"></a><!-- doxytag: member="GcuAtomicRadius::Z" ref="accc306eb13b178b12586ad329632b936" args="" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">unsigned char <a class="el" href="structGcuAtomicRadius.html#accc306eb13b178b12586ad329632b936">GcuAtomicRadius::Z</a></td> </tr> </table> </div> <div class="memdoc"> <p>The atomic number. </p> <p>Definition at line <a class="el" href="chemistry_8h_source.html#l00136">136</a> of file <a class="el" href="chemistry_8h_source.html">chemistry.h</a>.</p> </div> </div> <hr/>The documentation for this struct was generated from the following file:<ul> <li><a class="el" href="chemistry_8h_source.html">chemistry.h</a></li> </ul> </div> <hr class="footer"/><address class="footer"><small>Generated on Fri Nov 11 2011 18:01:05 for The Gnome Chemistry Utils by  <a href="http://www.doxygen.org/index.html"> <img class="footer" src="doxygen.png" alt="doxygen"/></a> 1.7.4 </small></address> </body> </html>