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<title>The Gnome Chemistry Utils: gcu::FormulaAtom Class Reference</title>
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<div class="navpath"><a class="el" href="namespacegcu.html">gcu</a>::<a class="el" href="classgcu_1_1FormulaAtom.html">FormulaAtom</a>
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<h1>gcu::FormulaAtom Class Reference</h1><!-- doxytag: class="gcu::FormulaAtom" --><!-- doxytag: inherits="gcu::FormulaElt" -->
<p><code>#include <<a class="el" href="formula_8h_source.html">formula.h</a>></code></p>
<div class="dynheader">
Inheritance diagram for gcu::FormulaAtom:</div>
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<div class="center">
<img src="classgcu_1_1FormulaAtom.gif" usemap="#gcu::FormulaAtom_map" alt=""/>
<map id="gcu::FormulaAtom_map" name="gcu::FormulaAtom_map">
<area href="classgcu_1_1FormulaElt.html" alt="gcu::FormulaElt" shape="rect" coords="0,0,113,24"/>
</map>
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<p><a href="classgcu_1_1FormulaAtom-members.html">List of all members.</a></p>
<table border="0" cellpadding="0" cellspacing="0">
<tr><td colspan="2"><h2>Public Member Functions</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1FormulaAtom.html#a22967d0473697eecb1c56b7210f4eba7">FormulaAtom</a> (int Z)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1FormulaAtom.html#af73d0e436957c60490f0a8c7dacdd2c3">~FormulaAtom</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">std::string </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1FormulaAtom.html#a0bbe8e6741b6584a4264b3497bc777f9">Markup</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">std::string </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1FormulaAtom.html#aaed2da3254eed84843258f75fa239e9f">Text</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1FormulaAtom.html#a087c6dc30e4faf8ad12c07d1380b8211">BuildRawFormula</a> (std::map< int, int > &raw)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">int </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1FormulaAtom.html#afc657924ed05abc49b383d9820d5bfce">GetValence</a> ()</td></tr>
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<hr/><a name="_details"></a><h2>Detailed Description</h2>
<p>class <a class="el" href="classgcu_1_1FormulaAtom.html">FormulaAtom</a> <a class="el" href="formula_8h.html">gcu/formula.h</a> Represents an atom in a formula. </p>
<p>Definition at line <a class="el" href="formula_8h_source.html#l00151">151</a> of file <a class="el" href="formula_8h_source.html">formula.h</a>.</p>
<hr/><h2>Constructor & Destructor Documentation</h2>
<a class="anchor" id="a22967d0473697eecb1c56b7210f4eba7"></a><!-- doxytag: member="gcu::FormulaAtom::FormulaAtom" ref="a22967d0473697eecb1c56b7210f4eba7" args="(int Z)" -->
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<td class="memname">gcu::FormulaAtom::FormulaAtom </td>
<td>(</td>
<td class="paramtype">int </td>
<td class="paramname"> <em>Z</em></td>
<td> ) </td>
<td></td>
</tr>
</table>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>Z</em> </td><td></td></tr>
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</dd>
</dl>
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<a class="anchor" id="af73d0e436957c60490f0a8c7dacdd2c3"></a><!-- doxytag: member="gcu::FormulaAtom::~FormulaAtom" ref="af73d0e436957c60490f0a8c7dacdd2c3" args="()" -->
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<td class="memname">virtual gcu::FormulaAtom::~FormulaAtom </td>
<td>(</td>
<td class="paramname"></td>
<td> ) </td>
<td><code> [virtual]</code></td>
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<p>The destructor. </p>
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<hr/><h2>Member Function Documentation</h2>
<a class="anchor" id="a087c6dc30e4faf8ad12c07d1380b8211"></a><!-- doxytag: member="gcu::FormulaAtom::BuildRawFormula" ref="a087c6dc30e4faf8ad12c07d1380b8211" args="(std::map< int, int > &raw)" -->
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<td class="memname">void gcu::FormulaAtom::BuildRawFormula </td>
<td>(</td>
<td class="paramtype">std::map< int, int > & </td>
<td class="paramname"> <em>raw</em></td>
<td> ) </td>
<td><code> [virtual]</code></td>
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</table>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>raw</em> </td><td>where to put the result</td></tr>
</table>
</dd>
</dl>
<p>Adds the stoichiometry coefficient to the entry correponding to the element. </p>
<p>Implements <a class="el" href="classgcu_1_1FormulaElt.html#a08a50700b8e01a8e8dc7e7de0d57b455">gcu::FormulaElt</a>.</p>
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<a class="anchor" id="afc657924ed05abc49b383d9820d5bfce"></a><!-- doxytag: member="gcu::FormulaAtom::GetValence" ref="afc657924ed05abc49b383d9820d5bfce" args="()" -->
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<td class="memname">int gcu::FormulaAtom::GetValence </td>
<td>(</td>
<td class="paramname"></td>
<td> ) </td>
<td><code> [virtual]</code></td>
</tr>
</table>
</div>
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<dl class="return"><dt><b>Returns:</b></dt><dd>the (most probable) valence of the element. </dd></dl>
<p>Implements <a class="el" href="classgcu_1_1FormulaElt.html#a912a90e4b8ffb4771247361a00abf537">gcu::FormulaElt</a>.</p>
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</div>
<a class="anchor" id="a0bbe8e6741b6584a4264b3497bc777f9"></a><!-- doxytag: member="gcu::FormulaAtom::Markup" ref="a0bbe8e6741b6584a4264b3497bc777f9" args="()" -->
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<td class="memname">std::string gcu::FormulaAtom::Markup </td>
<td>(</td>
<td class="paramname"></td>
<td> ) </td>
<td><code> [virtual]</code></td>
</tr>
</table>
</div>
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<dl class="return"><dt><b>Returns:</b></dt><dd>the string representation of the element as a markup. </dd></dl>
<p>Reimplemented from <a class="el" href="classgcu_1_1FormulaElt.html#a76cc52d2a13c7c6d793f84fe4128f07a">gcu::FormulaElt</a>.</p>
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<a class="anchor" id="aaed2da3254eed84843258f75fa239e9f"></a><!-- doxytag: member="gcu::FormulaAtom::Text" ref="aaed2da3254eed84843258f75fa239e9f" args="()" -->
<div class="memitem">
<div class="memproto">
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<td class="memname">std::string gcu::FormulaAtom::Text </td>
<td>(</td>
<td class="paramname"></td>
<td> ) </td>
<td><code> [virtual]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
<dl class="return"><dt><b>Returns:</b></dt><dd>the string representation of the element as raw text. </dd></dl>
<p>Reimplemented from <a class="el" href="classgcu_1_1FormulaElt.html#a8e42ff57439e027ce915d154ce25426f">gcu::FormulaElt</a>.</p>
</div>
</div>
<hr/>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="formula_8h_source.html">formula.h</a></li>
</ul>
</div>
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