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<title>The Gnome Chemistry Utils: gcu::FormulaResidue Class Reference</title>
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<div id="projectname">The Gnome Chemistry Utils <span id="projectnumber">0.13.5</span></div>
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<li class="navelem"><a class="el" href="namespacegcu.html">gcu</a> </li>
<li class="navelem"><a class="el" href="classgcu_1_1FormulaResidue.html">FormulaResidue</a> </li>
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<a href="#pub-methods">Public Member Functions</a> |
<a href="#pub-attribs">Public Attributes</a> </div>
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<div class="title">gcu::FormulaResidue Class Reference</div> </div>
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<!-- doxytag: class="gcu::FormulaResidue" --><!-- doxytag: inherits="gcu::FormulaElt" -->
<p><a class="el" href="classgcu_1_1Residue.html">Residue</a>.
<a href="classgcu_1_1FormulaResidue.html#details">More...</a></p>
<p><code>#include <<a class="el" href="formula_8h_source.html">formula.h</a>></code></p>
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Inheritance diagram for gcu::FormulaResidue:</div>
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<img src="classgcu_1_1FormulaResidue.png" usemap="#gcu::FormulaResidue_map" alt=""/>
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<area href="classgcu_1_1FormulaElt.html" alt="gcu::FormulaElt" shape="rect" coords="0,0,130,24"/>
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<p><a href="classgcu_1_1FormulaResidue-members.html">List of all members.</a></p>
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<tr><td colspan="2"><h2><a name="pub-methods"></a>
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_1FormulaResidue.html#ac97865ff1970377a9eff9ad5a9fb1872">FormulaResidue</a> (<a class="el" href="classgcu_1_1Residue.html">Residue</a> const *res, char const *symbol, 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_1FormulaResidue.html#ac8c7a2880a27a74bab5abbffc011284a">~FormulaResidue</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_1FormulaResidue.html#aea9d0af58133907701496bdf8a39f216">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_1FormulaResidue.html#aad3fca53d48084689db755595dcf2244">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_1FormulaResidue.html#a6f58c8a43bde3d4c9f9fa47caa462795">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_1FormulaResidue.html#ac0f8028a11ddabeabf57c990edda4fd8">GetValence</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">int </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1FormulaResidue.html#a868a29cbb195af080a57e8bacd321c6a">GetZ</a> (void) const </td></tr>
<tr><td colspan="2"><h2><a name="pub-attribs"></a>
Public Attributes</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Residue.html">Residue</a> const * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1FormulaResidue.html#a369b1201247ea8fd82c6d6aa58ac8990">residue</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_1FormulaResidue.html#aadc733b09d3163992efbebb3a3b21b25">Symbol</a></td></tr>
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<hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
<div class="textblock"><p><a class="el" href="classgcu_1_1Residue.html">Residue</a>. </p>
<p>class <a class="el" href="classgcu_1_1FormulaResidue.html" title="Residue.">FormulaResidue</a> <a class="el" href="formula_8h.html">gcu/formula.h</a> Represents a residue in a formula. </p>
<p>Definition at line <a class="el" href="formula_8h_source.html#l00236">236</a> of file <a class="el" href="formula_8h_source.html">formula.h</a>.</p>
</div><hr/><h2>Constructor & Destructor Documentation</h2>
<a class="anchor" id="ac97865ff1970377a9eff9ad5a9fb1872"></a><!-- doxytag: member="gcu::FormulaResidue::FormulaResidue" ref="ac97865ff1970377a9eff9ad5a9fb1872" args="(Residue const *res, char const *symbol, int Z)" -->
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<td class="memname">gcu::FormulaResidue::FormulaResidue </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classgcu_1_1Residue.html">Residue</a> const * </td>
<td class="paramname"><em>res</em>, </td>
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<td></td>
<td class="paramtype">char const * </td>
<td class="paramname"><em>symbol</em>, </td>
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<td></td>
<td class="paramtype">int </td>
<td class="paramname"><em>Z</em> </td>
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<td>)</td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table class="params">
<tr><td class="paramname">res</td><td>a <a class="el" href="classgcu_1_1Residue.html">gcu::Residue</a>. </td></tr>
<tr><td class="paramname">symbol</td><td>the atoms group symbol </td></tr>
<tr><td class="paramname">Z</td><td>the atomic number of the element with the same symbol or 0. </td></tr>
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</dd>
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<a class="anchor" id="ac8c7a2880a27a74bab5abbffc011284a"></a><!-- doxytag: member="gcu::FormulaResidue::~FormulaResidue" ref="ac8c7a2880a27a74bab5abbffc011284a" args="()" -->
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<td class="memname">virtual gcu::FormulaResidue::~FormulaResidue </td>
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<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="a6f58c8a43bde3d4c9f9fa47caa462795"></a><!-- doxytag: member="gcu::FormulaResidue::BuildRawFormula" ref="a6f58c8a43bde3d4c9f9fa47caa462795" args="(std::map< int, int > &raw)" -->
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<td class="memname">void gcu::FormulaResidue::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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<dl><dt><b>Parameters:</b></dt><dd>
<table class="params">
<tr><td class="paramname">raw</td><td>where to put the result</td></tr>
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</dd>
</dl>
<p>Adds the number of atoms of each element to the map taking the stoichiometry coefficient into account. </p>
<p>Implements <a class="el" href="classgcu_1_1FormulaElt.html#a08a50700b8e01a8e8dc7e7de0d57b455">gcu::FormulaElt</a>.</p>
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<a class="anchor" id="ac0f8028a11ddabeabf57c990edda4fd8"></a><!-- doxytag: member="gcu::FormulaResidue::GetValence" ref="ac0f8028a11ddabeabf57c990edda4fd8" args="()" -->
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<td class="memname">int gcu::FormulaResidue::GetValence </td>
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<td class="paramname"></td><td>)</td>
<td><code> [virtual]</code></td>
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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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<a class="anchor" id="a868a29cbb195af080a57e8bacd321c6a"></a><!-- doxytag: member="gcu::FormulaResidue::GetZ" ref="a868a29cbb195af080a57e8bacd321c6a" args="(void) const " -->
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<td class="memname">gcu::FormulaResidue::GetZ </td>
<td>(</td>
<td class="paramtype">void </td>
<td class="paramname"></td><td>)</td>
<td> const<code> [inline]</code></td>
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<dl class="return"><dt><b>Returns:</b></dt><dd>the atomic number of the element with the same symbol or 0. </dd></dl>
<p>Definition at line <a class="el" href="formula_8h_source.html#l00279">279</a> of file <a class="el" href="formula_8h_source.html">formula.h</a>.</p>
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<a class="anchor" id="aea9d0af58133907701496bdf8a39f216"></a><!-- doxytag: member="gcu::FormulaResidue::Markup" ref="aea9d0af58133907701496bdf8a39f216" args="()" -->
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<td class="memname">std::string gcu::FormulaResidue::Markup </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td><code> [virtual]</code></td>
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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="aad3fca53d48084689db755595dcf2244"></a><!-- doxytag: member="gcu::FormulaResidue::Text" ref="aad3fca53d48084689db755595dcf2244" args="()" -->
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<td class="memname">std::string gcu::FormulaResidue::Text </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td><code> [virtual]</code></td>
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<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>
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<hr/><h2>Member Data Documentation</h2>
<a class="anchor" id="a369b1201247ea8fd82c6d6aa58ac8990"></a><!-- doxytag: member="gcu::FormulaResidue::residue" ref="a369b1201247ea8fd82c6d6aa58ac8990" args="" -->
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<td class="memname"><a class="el" href="classgcu_1_1Residue.html">Residue</a> const* <a class="el" href="classgcu_1_1FormulaResidue.html#a369b1201247ea8fd82c6d6aa58ac8990">gcu::FormulaResidue::residue</a></td>
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<p>The <a class="el" href="classgcu_1_1Residue.html">gcu::Residue</a> correponding to the found symbol. </p>
<p>Definition at line <a class="el" href="formula_8h_source.html#l00271">271</a> of file <a class="el" href="formula_8h_source.html">formula.h</a>.</p>
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<a class="anchor" id="aadc733b09d3163992efbebb3a3b21b25"></a><!-- doxytag: member="gcu::FormulaResidue::Symbol" ref="aadc733b09d3163992efbebb3a3b21b25" args="" -->
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<td class="memname">std::string <a class="el" href="classgcu_1_1FormulaResidue.html#aadc733b09d3163992efbebb3a3b21b25">gcu::FormulaResidue::Symbol</a></td>
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<p>The symbol of the atoms group. </p>
<p>Definition at line <a class="el" href="formula_8h_source.html#l00275">275</a> of file <a class="el" href="formula_8h_source.html">formula.h</a>.</p>
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<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>
<hr class="footer"/><address class="footer"><small>Generated on Fri Nov 11 2011 18:01:07 for The Gnome Chemistry Utils by 
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