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gnome-chemistry-utils-devel-0.10.8-3mdv2010.0.i586.rpm

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<h1>gcu::Element Class Reference</h1><!-- doxytag: class="gcu::Element" -->
<p><code>#include &lt;<a class="el" href="element_8h_source.html">gcu/element.h</a>&gt;</code></p>

<p><a href="classgcu_1_1Element-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">int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a6784952e6d7f6243869fbf227e3e8edf">GetZ</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">const char *&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a69db53b2fdf6000f9e0cff4a6f312d77">GetSymbol</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">char&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a4eab878848fc2297c8d738b43af1f09a">GetDefaultValence</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">unsigned&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#aeaf3f7c39a8f163d07ebc047000bf988">GetMaxBonds</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a70b961d1f0e9050275fbeec902d7e7d1">GetBestSide</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">double *&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a0a7e5e2afe5f893a5cd7da8c51c2c424">GetDefaultColor</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">const char *&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a2a2e3d12ce136680b98edf57108e422b">GetName</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">const <a class="el" href="structGcuAtomicRadius.html">GcuAtomicRadius</a> **&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a7ed68d1496ad6088d71c1a93fd4f6ba2">GetRadii</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">const <a class="el" href="structGcuElectronegativity.html">GcuElectronegativity</a> **&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#aedc23af9c3efbc524105cefe52ccd9f7">GetElectronegativities</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">unsigned&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#ad65ff60bdf26464fc2c1126fa6a9dee8">GetValenceElectrons</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">unsigned&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a283e0c1cbbedd280878d11fb0f004727">GetTotalValenceElectrons</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">unsigned&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#ae8d95e1f004a7f6c9be349d015bebb6c">GetMaxValenceElectrons</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1DimensionalValue.html">DimensionalValue</a> const *&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a1728ccb4308cf1ceead873f9253ef6a1">GetWeight</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1IsotopicPattern.html">IsotopicPattern</a> *&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a7ac4e626d3cc3ec059d7cfbcc8f9792b">GetIsotopicPattern</a> (unsigned natoms)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">std::string const &amp;&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a39aec5aea1fa927b8b7f5fbddba139b9">GetElectronicConfiguration</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">std::map&lt; std::string, <br class="typebreak"/>
std::string &gt; const &amp;&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#add3c9dfd7f879803a3e16c0c74a4909f">GetNames</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top"><a class="el" href="structGcuDimensionalValue.html">GcuDimensionalValue</a> const *&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#aeff927817d90de4266d39bd5a5ba9b92">GetIonizationEnergy</a> (unsigned rank=1)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top"><a class="el" href="structGcuDimensionalValue.html">GcuDimensionalValue</a> const *&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a9a9982f3e1c96e5716c53def4822935d">GetElectronAffinity</a> (unsigned rank=1)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Value.html">Value</a> const *&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#ae859152172f946092941623d1dbd4f84">GetProperty</a> (char const *property_name)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">std::string &amp;&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a564fc6c6641ed0529c5a361fe5b01092">GetStringProperty</a> (char const *property_name)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#ac302d9f021a4aff6253b272f081b0a5f">GetIntegerProperty</a> (char const *property_name)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a8c35aa35a6acb5ffbc26a641c4c6e8cb">IsMetallic</a> ()</td></tr>
<tr><td colspan="2"><h2>Static Public Member Functions</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static const gchar *&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a56a156c4ace80a70ebe9d1190d504e60">Symbol</a> (gint Z)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static bool&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a4071480542b76a406500915b5d8d7a45">BestSide</a> (gint Z)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static gint&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#acbfe15eeee91b1f185e41b2c51819ed1">Z</a> (const gchar *symbol)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static <a class="el" href="classgcu_1_1Element.html">Element</a> *&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a05e0c2fd9e661b6dc58605eee80f1098">GetElement</a> (gint Z)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static <a class="el" href="classgcu_1_1Element.html">Element</a> *&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a865fd1d1a081ac63f14aec19c21b3d9f">GetElement</a> (const gchar *symbol)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static bool&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#ad2a7a0e9cf8c5ec2650cb9d6ddf23ccc">GetRadius</a> (<a class="el" href="structGcuAtomicRadius.html">GcuAtomicRadius</a> *radius)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static bool&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a2c49b4f62cbd78f169354d70498d226a">GetElectronegativity</a> (<a class="el" href="structGcuElectronegativity.html">GcuElectronegativity</a> *en)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static unsigned&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#ab42ca227b97e69cf62ca927356042dee">GetMaxBonds</a> (gint Z)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static void&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#acb2454d739e364fc9ad3abdc01743fdc">LoadRadii</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static void&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#aac914bd5ff06da84cc36087c2d1ada63">LoadElectronicProps</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static void&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#a2447f0c9b984eb548f8dc12efd84c8fa">LoadIsotopes</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static void&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#ad4c3a78084183f2be4a095cbf1fad6d4">LoadBODR</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static void&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Element.html#ab487fe137a9bfd0b92cd9423972acc45">LoadAllData</a> ()</td></tr>
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<hr/><a name="_details"></a><h2>Detailed Description</h2>
<p>Represents a chemical element. This class has no public constructor or destructor. The instances are created by the framework from data in the elements.xml file and a user cannot create a new element. </p>

<p>Definition at line <a class="el" href="element_8h_source.html#l00058">58</a> of file <a class="el" href="element_8h_source.html">element.h</a>.</p>
<hr/><h2>Member Function Documentation</h2>
<a class="anchor" id="a4071480542b76a406500915b5d8d7a45"></a><!-- doxytag: member="gcu::Element::BestSide" ref="a4071480542b76a406500915b5d8d7a45" args="(gint Z)" -->
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          <td class="memname">static bool gcu::Element::BestSide </td>
          <td>(</td>
          <td class="paramtype">gint&nbsp;</td>
          <td class="paramname"> <em>Z</em></td>
          <td>&nbsp;)&nbsp;</td>
          <td><code> [static]</code></td>
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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>&nbsp;</td><td>the atomic number of a chemical element.</td></tr>
  </table>
  </dd>
</dl>
<p>This static method is used to know on what side of the symbol of the element whose atomic number is Z attached hydrogens should be written. </p>
<dl class="return"><dt><b>Returns:</b></dt><dd>true if hydrogens should be written on the right and false when it should be written on the left side. </dd></dl>

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<a class="anchor" id="a70b961d1f0e9050275fbeec902d7e7d1"></a><!-- doxytag: member="gcu::Element::GetBestSide" ref="a70b961d1f0e9050275fbeec902d7e7d1" args="()" -->
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          <td class="memname">bool gcu::Element::GetBestSide </td>
          <td>(</td>
          <td class="paramname"></td>
          <td>&nbsp;)&nbsp;</td>
          <td><code> [inline]</code></td>
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<p>This static method is used to know on what side of the symbol of the element attached hydrogens should be written. </p>
<dl class="return"><dt><b>Returns:</b></dt><dd>true if hydrogens should be written on the right and false when it should be written on the left side. </dd></dl>

<p>Definition at line <a class="el" href="element_8h_source.html#l00186">186</a> of file <a class="el" href="element_8h_source.html">element.h</a>.</p>

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<a class="anchor" id="a0a7e5e2afe5f893a5cd7da8c51c2c424"></a><!-- doxytag: member="gcu::Element::GetDefaultColor" ref="a0a7e5e2afe5f893a5cd7da8c51c2c424" args="()" -->
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          <td class="memname">double* gcu::Element::GetDefaultColor </td>
          <td>(</td>
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          <td><code> [inline]</code></td>
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<p>Retrieves the default color used for the element. </p>
<dl class="return"><dt><b>Returns:</b></dt><dd>an array of three double values for the red, green and blue components of the color. </dd></dl>

<p>Definition at line <a class="el" href="element_8h_source.html#l00191">191</a> of file <a class="el" href="element_8h_source.html">element.h</a>.</p>

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<a class="anchor" id="a4eab878848fc2297c8d738b43af1f09a"></a><!-- doxytag: member="gcu::Element::GetDefaultValence" ref="a4eab878848fc2297c8d738b43af1f09a" args="()" -->
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<dl class="return"><dt><b>Returns:</b></dt><dd>The default valence of the element for some elements, mainly non metals. For others, the returned value is -1 and should not be taken into account. </dd></dl>

<p>Definition at line <a class="el" href="element_8h_source.html#l00174">174</a> of file <a class="el" href="element_8h_source.html">element.h</a>.</p>

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<a class="anchor" id="a9a9982f3e1c96e5716c53def4822935d"></a><!-- doxytag: member="gcu::Element::GetElectronAffinity" ref="a9a9982f3e1c96e5716c53def4822935d" args="(unsigned rank=1)" -->
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          <td class="memname"><a class="el" href="structGcuDimensionalValue.html">GcuDimensionalValue</a> const* gcu::Element::GetElectronAffinity </td>
          <td>(</td>
          <td class="paramtype">unsigned&nbsp;</td>
          <td class="paramname"> <em>rank</em> = <code>1</code></td>
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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>rank,:</em>&nbsp;</td><td>the rank of the electron affinity.</td></tr>
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  </dd>
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<dl class="return"><dt><b>Returns:</b></dt><dd>the requested electron affinity as a &amp;<a class="el" href="structGcuDimensionalValue.html">GcuDimensionalValue</a>. For most elements, only the first is known. </dd></dl>

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<a class="anchor" id="aedc23af9c3efbc524105cefe52ccd9f7"></a><!-- doxytag: member="gcu::Element::GetElectronegativities" ref="aedc23af9c3efbc524105cefe52ccd9f7" args="()" -->
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          <td class="memname">const <a class="el" href="structGcuElectronegativity.html">GcuElectronegativity</a>** gcu::Element::GetElectronegativities </td>
          <td>(</td>
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<dl class="return"><dt><b>Returns:</b></dt><dd>a pointer to the array of pointers to <a class="el" href="structGcuElectronegativity.html">GcuElectronegativity</a> structures for all known electronegativities for the element. Last value in the array is NULL. </dd></dl>

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<a class="anchor" id="a2c49b4f62cbd78f169354d70498d226a"></a><!-- doxytag: member="gcu::Element::GetElectronegativity" ref="a2c49b4f62cbd78f169354d70498d226a" args="(GcuElectronegativity *en)" -->
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          <td class="memname">static bool gcu::Element::GetElectronegativity </td>
          <td>(</td>
          <td class="paramtype"><a class="el" href="structGcuElectronegativity.html">GcuElectronegativity</a> *&nbsp;</td>
          <td class="paramname"> <em>en</em></td>
          <td>&nbsp;)&nbsp;</td>
          <td><code> [static]</code></td>
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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>en,:</em>&nbsp;</td><td>a pointer to a <a class="el" href="structGcuElectronegativity.html">GcuElectronegativity</a> structure.</td></tr>
  </table>
  </dd>
</dl>
<p>Before calling this function, the following fields in the <a class="el" href="structGcuElectronegativity.html">GcuElectronegativity</a> structure must be filled:</p>
<ul>
<li>Z: the atomic number, mandatory</li>
<li>type: the gcu_radius_type, mandatory</li>
<li>charge: the charge of the atom, mandatory; must be 0 for non ionic radii and non null for ionic radii.</li>
<li>scale: the name of the scale (e.g. "Pauling") or NULL</li>
</ul>
<p>The programs searches an electronegativity value for the element in the scale if given. If one is found the value and the scale (if NULL on calling) are given the corresponding values of the first match before returning.</p>
<dl class="return"><dt><b>Returns:</b></dt><dd>true if a match has been found and false if not. </dd></dl>

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<a class="anchor" id="a39aec5aea1fa927b8b7f5fbddba139b9"></a><!-- doxytag: member="gcu::Element::GetElectronicConfiguration" ref="a39aec5aea1fa927b8b7f5fbddba139b9" args="()" -->
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          <td>(</td>
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<dl class="return"><dt><b>Returns:</b></dt><dd>the fundamental electronic configuration for the element. The returned string is formated as a pango markup, with electron numbers for each sublevel as superscript. </dd></dl>

<p>Definition at line <a class="el" href="element_8h_source.html#l00236">236</a> of file <a class="el" href="element_8h_source.html">element.h</a>.</p>

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<a class="anchor" id="a865fd1d1a081ac63f14aec19c21b3d9f"></a><!-- doxytag: member="gcu::Element::GetElement" ref="a865fd1d1a081ac63f14aec19c21b3d9f" args="(const gchar *symbol)" -->
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          <td class="memname">static <a class="el" href="classgcu_1_1Element.html">Element</a>* gcu::Element::GetElement </td>
          <td>(</td>
          <td class="paramtype">const gchar *&nbsp;</td>
          <td class="paramname"> <em>symbol</em></td>
          <td>&nbsp;)&nbsp;</td>
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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>symbol,:</em>&nbsp;</td><td>the symbol of a chemical element. </td></tr>
  </table>
  </dd>
</dl>
<dl class="return"><dt><b>Returns:</b></dt><dd>a pointer to the <a class="el" href="classgcu_1_1Element.html">Element</a> whose symbol is used as parameter or NULL if the element is unknown. </dd></dl>

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<a class="anchor" id="a05e0c2fd9e661b6dc58605eee80f1098"></a><!-- doxytag: member="gcu::Element::GetElement" ref="a05e0c2fd9e661b6dc58605eee80f1098" args="(gint Z)" -->
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          <td class="paramtype">gint&nbsp;</td>
          <td class="paramname"> <em>Z</em></td>
          <td>&nbsp;)&nbsp;</td>
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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>&nbsp;</td><td>the atomic number of a chemical element. </td></tr>
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  </dd>
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<dl class="return"><dt><b>Returns:</b></dt><dd>a pointer to the <a class="el" href="classgcu_1_1Element.html">Element</a> whose atomic number is Z or NULL if the element is unknown. </dd></dl>

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<a class="anchor" id="ac302d9f021a4aff6253b272f081b0a5f"></a><!-- doxytag: member="gcu::Element::GetIntegerProperty" ref="ac302d9f021a4aff6253b272f081b0a5f" args="(char const *property_name)" -->
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          <td>&nbsp;)&nbsp;</td>
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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>property_name,:</em>&nbsp;</td><td>the name of the property as used in the Blue Obelisk Data Repository (without the "bo:" prefix).</td></tr>
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  </dd>
</dl>
<dl class="return"><dt><b>Returns:</b></dt><dd>the requested integer property if known, or G_MININT32. </dd></dl>

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<a class="anchor" id="aeff927817d90de4266d39bd5a5ba9b92"></a><!-- doxytag: member="gcu::Element::GetIonizationEnergy" ref="aeff927817d90de4266d39bd5a5ba9b92" args="(unsigned rank=1)" -->
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          <td class="memname"><a class="el" href="structGcuDimensionalValue.html">GcuDimensionalValue</a> const* gcu::Element::GetIonizationEnergy </td>
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<dl><dt><b>Parameters:</b></dt><dd>
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    <tr><td valign="top"></td><td valign="top"><em>rank,:</em>&nbsp;</td><td>the rank of the ionization.</td></tr>
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<dl class="return"><dt><b>Returns:</b></dt><dd>the requested ionization energy as a &amp;<a class="el" href="structGcuDimensionalValue.html">GcuDimensionalValue</a>. </dd></dl>

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          <td class="memname"><a class="el" href="classgcu_1_1IsotopicPattern.html">IsotopicPattern</a>* gcu::Element::GetIsotopicPattern </td>
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<dl><dt><b>Parameters:</b></dt><dd>
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    <tr><td valign="top"></td><td valign="top"><em>natoms,:</em>&nbsp;</td><td>atoms count.</td></tr>
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<dl class="return"><dt><b>Returns:</b></dt><dd>the isotopic pattern correponding to a fragment containing n atoms of the element. </dd></dl>

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<p>The value returned by this method might be too low in some cases and is only indicative. Instances of the <a class="el" href="classgcu_1_1Atom.html">Atom</a> class accept any number of bonds. This behavior might change in future versions. </p>
<dl class="return"><dt><b>Returns:</b></dt><dd>the maximum number of bonds an atom of the element can be involved in. </dd></dl>

<p>Definition at line <a class="el" href="element_8h_source.html#l00180">180</a> of file <a class="el" href="element_8h_source.html">element.h</a>.</p>

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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>&nbsp;</td><td>the atomic number of a chemical element.</td></tr>
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  </dd>
</dl>
<p>The value returned by this method might be too low in some cases and is only indicative. Instances of the <a class="el" href="classgcu_1_1Atom.html">Atom</a> class accept any number of bonds. This behavior might change in future versions. </p>
<dl class="return"><dt><b>Returns:</b></dt><dd>the maximum number of bonds an atom of the element can be involved in. </dd></dl>

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<a class="anchor" id="ae8d95e1f004a7f6c9be349d015bebb6c"></a><!-- doxytag: member="gcu::Element::GetMaxValenceElectrons" ref="ae8d95e1f004a7f6c9be349d015bebb6c" args="()" -->
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<dl class="return"><dt><b>Returns:</b></dt><dd>the maximume number of valence electrons of the neutral atom, including d and f electrons. </dd></dl>

<p>Definition at line <a class="el" href="element_8h_source.html#l00219">219</a> of file <a class="el" href="element_8h_source.html">element.h</a>.</p>

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<a class="anchor" id="a2a2e3d12ce136680b98edf57108e422b"></a><!-- doxytag: member="gcu::Element::GetName" ref="a2a2e3d12ce136680b98edf57108e422b" args="()" -->
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<dl class="return"><dt><b>Returns:</b></dt><dd>the name of the element in the current locale or in english if the current locale is not supported in the database. </dd></dl>

<p>Definition at line <a class="el" href="element_8h_source.html#l00195">195</a> of file <a class="el" href="element_8h_source.html">element.h</a>.</p>

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<dl class="return"><dt><b>Returns:</b></dt><dd>the map of known names for the element indexed by language. </dd></dl>

<p>Definition at line <a class="el" href="element_8h_source.html#l00240">240</a> of file <a class="el" href="element_8h_source.html">element.h</a>.</p>

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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>property_name,:</em>&nbsp;</td><td>the name of the property as used in the Blue Obelisk Data Repository (without the "bo:" prefix).</td></tr>
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<dl class="return"><dt><b>Returns:</b></dt><dd>the requested property if known, or NULL. </dd></dl>

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<dl class="return"><dt><b>Returns:</b></dt><dd>a pointer to the array of pointers to <a class="el" href="structGcuAtomicRadius.html">GcuAtomicRadius</a> structures for all known radii for the element. Last value in the array is NULL. </dd></dl>

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<a class="anchor" id="ad2a7a0e9cf8c5ec2650cb9d6ddf23ccc"></a><!-- doxytag: member="gcu::Element::GetRadius" ref="ad2a7a0e9cf8c5ec2650cb9d6ddf23ccc" args="(GcuAtomicRadius *radius)" -->
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          <td class="paramname"> <em>radius</em></td>
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<dl><dt><b>Parameters:</b></dt><dd>
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    <tr><td valign="top"></td><td valign="top"><em>radius,:</em>&nbsp;</td><td>a pointer to a <a class="el" href="structGcuAtomicRadius.html">GcuAtomicRadius</a> structure.</td></tr>
  </table>
  </dd>
</dl>
<p>Before calling this function, most fields in the <a class="el" href="structGcuAtomicRadius.html">GcuAtomicRadius</a> structure must be filled:</p>
<ul>
<li>Z: the atomic number, mandatory</li>
<li>type: the type of the radius searched</li>
<li>charge: the charge of the atom. 0 for all radii except ionic radii.</li>
<li>cn: the coordination number or -1 if not significant</li>
<li>spin: the spin state or GCU_N_A_SPIN if not significant</li>
<li>scale: the name of the scale (e.g. "Pauling") or NULL</li>
</ul>
<p>The programs searches a value corresponding to the fields having a non default value. If one is found the other fields are given the corresponding values f the first match before returning.</p>
<dl class="return"><dt><b>Returns:</b></dt><dd>true if a radius has been found and false if not. </dd></dl>

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<a class="anchor" id="a564fc6c6641ed0529c5a361fe5b01092"></a><!-- doxytag: member="gcu::Element::GetStringProperty" ref="a564fc6c6641ed0529c5a361fe5b01092" args="(char const *property_name)" -->
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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>property_name,:</em>&nbsp;</td><td>the name of the property as used in the Blue Obelisk Data Repository (without the "bo:" prefix).</td></tr>
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  </dd>
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<dl class="return"><dt><b>Returns:</b></dt><dd>the requested string property if known as a reference or an empty string. </dd></dl>

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<dl class="return"><dt><b>Returns:</b></dt><dd>The chemical symbol of the element. </dd></dl>

<p>Definition at line <a class="el" href="element_8h_source.html#l00169">169</a> of file <a class="el" href="element_8h_source.html">element.h</a>.</p>

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<dl class="return"><dt><b>Returns:</b></dt><dd>the number of valence electrons of the neutral atom, including d and f electrons. </dd></dl>

<p>Definition at line <a class="el" href="element_8h_source.html#l00214">214</a> of file <a class="el" href="element_8h_source.html">element.h</a>.</p>

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<dl class="return"><dt><b>Returns:</b></dt><dd>the number of valence electrons of the neutral atom. </dd></dl>

<p>Definition at line <a class="el" href="element_8h_source.html#l00209">209</a> of file <a class="el" href="element_8h_source.html">element.h</a>.</p>

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<dl class="return"><dt><b>Returns:</b></dt><dd>the atomic molar mass of the element. </dd></dl>

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<dl class="return"><dt><b>Returns:</b></dt><dd>The atomic number of the chemical element. </dd></dl>

<p>Definition at line <a class="el" href="element_8h_source.html#l00165">165</a> of file <a class="el" href="element_8h_source.html">element.h</a>.</p>

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<dl class="return"><dt><b>Returns:</b></dt><dd>true if the element is a metal, false otherwise. </dd></dl>

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<p>Loads all databases. </p>

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<p>Loads the Blue Obelisk Database. </p>

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<a class="anchor" id="aac914bd5ff06da84cc36087c2d1ada63"></a><!-- doxytag: member="gcu::Element::LoadElectronicProps" ref="aac914bd5ff06da84cc36087c2d1ada63" args="()" -->
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<p>Loads the atomic electronic properties database. </p>

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<p>Loads the isotopes database. </p>

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          <td class="memname">static void gcu::Element::LoadRadii </td>
          <td>(</td>
          <td class="paramname"></td>
          <td>&nbsp;)&nbsp;</td>
          <td><code> [static]</code></td>
        </tr>
      </table>
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<p>Loads the atomic radii database. </p>

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<a class="anchor" id="a56a156c4ace80a70ebe9d1190d504e60"></a><!-- doxytag: member="gcu::Element::Symbol" ref="a56a156c4ace80a70ebe9d1190d504e60" args="(gint Z)" -->
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          <td class="memname">static const gchar* gcu::Element::Symbol </td>
          <td>(</td>
          <td class="paramtype">gint&nbsp;</td>
          <td class="paramname"> <em>Z</em></td>
          <td>&nbsp;)&nbsp;</td>
          <td><code> [static]</code></td>
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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>&nbsp;</td><td>the atomic number of a chemical element. </td></tr>
  </table>
  </dd>
</dl>
<dl class="return"><dt><b>Returns:</b></dt><dd>The chemical symbol of the element whose atomic number is Z or NULL if the element is unknown. </dd></dl>

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<a class="anchor" id="acbfe15eeee91b1f185e41b2c51819ed1"></a><!-- doxytag: member="gcu::Element::Z" ref="acbfe15eeee91b1f185e41b2c51819ed1" args="(const gchar *symbol)" -->
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          <td class="memname">static gint gcu::Element::Z </td>
          <td>(</td>
          <td class="paramtype">const gchar *&nbsp;</td>
          <td class="paramname"> <em>symbol</em></td>
          <td>&nbsp;)&nbsp;</td>
          <td><code> [static]</code></td>
        </tr>
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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>symbol,:</em>&nbsp;</td><td>the symbol of a chemical element. </td></tr>
  </table>
  </dd>
</dl>
<dl class="return"><dt><b>Returns:</b></dt><dd>The atomic number of the element whose chemical symbol is used as parameter or 0 if the element is unknown. </dd></dl>

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<hr/>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="element_8h_source.html">element.h</a></li>
</ul>
</div>
<hr size="1"/><address style="text-align: right;"><small>Generated on Sun Sep 6 18:33:55 2009 for The Gnome Chemistry Utils by&nbsp;
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<img class="footer" src="doxygen.png" alt="doxygen"/></a> 1.6.1 </small></address>
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