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<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
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<a href="#v-sim-toolPhysic.synopsis" class="shortcut">Top</a>
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<a href="#v-sim-toolPhysic.description" class="shortcut">Description</a>
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<div class="refentry" title="toolPhysic">
<a name="v-sim-toolPhysic"></a><div class="titlepage"></div>
<div class="refnamediv"><table width="100%"><tr>
<td valign="top">
<h2><span class="refentrytitle"><a name="v-sim-toolPhysic.top_of_page"></a>toolPhysic</span></h2>
<p>toolPhysic — introduce physical values for the chemical species.</p>
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<td valign="top" align="right"></td>
</tr></table></div>
<div class="refsynopsisdiv" title="Synopsis">
<a name="v-sim-toolPhysic.synopsis"></a><h2>Synopsis</h2>
<pre class="synopsis"><a href="/usr/share/gtk-doc/html/glib/glib-Basic-Types.html#gboolean"><span class="returnvalue">gboolean</span></a> <a class="link" href="v-sim-toolPhysic.html#tool-physic-getElementFromZ" title="tool_physic_getElementFromZ ()">tool_physic_getElementFromZ</a> (<em class="parameter"><code><a href="/usr/share/gtk-doc/html/glib/glib-Basic-Types.html#gchar"><span class="type">gchar</span></a> **name</code></em>,
<em class="parameter"><code><span class="type">float</span> *radcov</code></em>,
<em class="parameter"><code><span class="type">int</span> zele</code></em>);
<a href="/usr/share/gtk-doc/html/glib/glib-Basic-Types.html#gboolean"><span class="returnvalue">gboolean</span></a> <a class="link" href="v-sim-toolPhysic.html#tool-physic-getElementFromSymbol" title="tool_physic_getElementFromSymbol ()">tool_physic_getElementFromSymbol</a> (<em class="parameter"><code><span class="type">int</span> *zele</code></em>,
<em class="parameter"><code><span class="type">float</span> *radcov</code></em>,
<em class="parameter"><code><a href="/usr/share/gtk-doc/html/glib/glib-Basic-Types.html#gchar"><span class="type">gchar</span></a> *symbol</code></em>);
enum <a class="link" href="v-sim-toolPhysic.html#ToolUnits" title="enum ToolUnits">ToolUnits</a>;
const <a href="/usr/share/gtk-doc/html/glib/glib-Basic-Types.html#gchar"><span class="returnvalue">gchar</span></a>** <a class="link" href="v-sim-toolPhysic.html#tool-physic-getUnitNames" title="tool_physic_getUnitNames ()">tool_physic_getUnitNames</a> (<em class="parameter"><code><span class="type">void</span></code></em>);
<span class="returnvalue">float</span> <a class="link" href="v-sim-toolPhysic.html#tool-physic-getUnitValueInMeter" title="tool_physic_getUnitValueInMeter ()">tool_physic_getUnitValueInMeter</a> (<em class="parameter"><code><a class="link" href="v-sim-toolPhysic.html#ToolUnits" title="enum ToolUnits"><span class="type">ToolUnits</span></a> unit</code></em>);
<a class="link" href="v-sim-toolPhysic.html#ToolUnits" title="enum ToolUnits"><span class="returnvalue">ToolUnits</span></a> <a class="link" href="v-sim-toolPhysic.html#tool-physic-getUnitFromName" title="tool_physic_getUnitFromName ()">tool_physic_getUnitFromName</a> (<em class="parameter"><code>const <a href="/usr/share/gtk-doc/html/glib/glib-Basic-Types.html#gchar"><span class="type">gchar</span></a> *name</code></em>);
</pre>
</div>
<div class="refsect1" title="Description">
<a name="v-sim-toolPhysic.description"></a><h2>Description</h2>
<p>
This is a data base associating symbol names and atomic
numbers. One can also get the covalent radius of chemical
species. It is convenient to plot bindings.
</p>
</div>
<div class="refsect1" title="Details">
<a name="v-sim-toolPhysic.details"></a><h2>Details</h2>
<div class="refsect2" title="tool_physic_getElementFromZ ()">
<a name="tool-physic-getElementFromZ"></a><h3>tool_physic_getElementFromZ ()</h3>
<pre class="programlisting"><a href="/usr/share/gtk-doc/html/glib/glib-Basic-Types.html#gboolean"><span class="returnvalue">gboolean</span></a> tool_physic_getElementFromZ (<em class="parameter"><code><a href="/usr/share/gtk-doc/html/glib/glib-Basic-Types.html#gchar"><span class="type">gchar</span></a> **name</code></em>,
<em class="parameter"><code><span class="type">float</span> *radcov</code></em>,
<em class="parameter"><code><span class="type">int</span> zele</code></em>);</pre>
<p>
Get the symbol or the covalence radius of the argument <em class="parameter"><code>zele</code></em>.
</p>
<div class="variablelist"><table border="0">
<col align="left" valign="top">
<tbody>
<tr>
<td><p><span class="term"><em class="parameter"><code>name</code></em> :</span></p></td>
<td>a pointer on an unallocated string (can be NULL) ;
</td>
</tr>
<tr>
<td><p><span class="term"><em class="parameter"><code>radcov</code></em> :</span></p></td>
<td>a pointer on a float (can be NULL) ;
</td>
</tr>
<tr>
<td><p><span class="term"><em class="parameter"><code>zele</code></em> :</span></p></td>
<td>the atomic number.
</td>
</tr>
<tr>
<td><p><span class="term"><span class="emphasis"><em>Returns</em></span> :</span></p></td>
<td> TRUE if zele is known in the atomic built-in list.
</td>
</tr>
</tbody>
</table></div>
</div>
<hr>
<div class="refsect2" title="tool_physic_getElementFromSymbol ()">
<a name="tool-physic-getElementFromSymbol"></a><h3>tool_physic_getElementFromSymbol ()</h3>
<pre class="programlisting"><a href="/usr/share/gtk-doc/html/glib/glib-Basic-Types.html#gboolean"><span class="returnvalue">gboolean</span></a> tool_physic_getElementFromSymbol (<em class="parameter"><code><span class="type">int</span> *zele</code></em>,
<em class="parameter"><code><span class="type">float</span> *radcov</code></em>,
<em class="parameter"><code><a href="/usr/share/gtk-doc/html/glib/glib-Basic-Types.html#gchar"><span class="type">gchar</span></a> *symbol</code></em>);</pre>
<p>
Get the the covalence radius or the atomic number of a given atomic
<em class="parameter"><code>symbol</code></em>.
</p>
<div class="variablelist"><table border="0">
<col align="left" valign="top">
<tbody>
<tr>
<td><p><span class="term"><em class="parameter"><code>zele</code></em> :</span></p></td>
<td>a pointer on an integer (can be NULL) ;
</td>
</tr>
<tr>
<td><p><span class="term"><em class="parameter"><code>radcov</code></em> :</span></p></td>
<td>a pointer on a float (can be NULL) ;
</td>
</tr>
<tr>
<td><p><span class="term"><em class="parameter"><code>symbol</code></em> :</span></p></td>
<td>the symbol of an atom.
</td>
</tr>
<tr>
<td><p><span class="term"><span class="emphasis"><em>Returns</em></span> :</span></p></td>
<td> TRUE if <em class="parameter"><code>symbol</code></em> is known in the atomic built-in list.
</td>
</tr>
</tbody>
</table></div>
</div>
<hr>
<div class="refsect2" title="enum ToolUnits">
<a name="ToolUnits"></a><h3>enum ToolUnits</h3>
<pre class="programlisting">typedef enum
{
unit_undefined,
unit_bohr,
unit_angstroem,
unit_nanometer,
/*< private >*/
nb_units
} ToolUnits;
</pre>
<p>
The possible length units defined in V_Sim. The special case
<em class="parameter"><code>unit_undefined</code></em> means that a unit must be defined before any
conversion operations may be done.
</p>
<div class="variablelist"><table border="0">
<col align="left" valign="top">
<tbody>
<tr>
<td><p><a name="unit-undefined"></a><span class="term"><code class="literal">unit_undefined</code></span></p></td>
<td>the units are undefined.
</td>
</tr>
<tr>
<td><p><a name="unit-bohr"></a><span class="term"><code class="literal">unit_bohr</code></span></p></td>
<td>the length are given in Bohr (1ang = 0.529177Bohr);
</td>
</tr>
<tr>
<td><p><a name="unit-angstroem"></a><span class="term"><code class="literal">unit_angstroem</code></span></p></td>
<td>the length are given in angstroems ;
</td>
</tr>
<tr>
<td><p><a name="unit-nanometer"></a><span class="term"><code class="literal">unit_nanometer</code></span></p></td>
<td>the length are given in nanometers.
</td>
</tr>
<tr>
<td><p><a name="nb-units"></a><span class="term"><code class="literal">nb_units</code></span></p></td>
<td>private.
</td>
</tr>
</tbody>
</table></div>
<p class="since">Since 3.5</p>
</div>
<hr>
<div class="refsect2" title="tool_physic_getUnitNames ()">
<a name="tool-physic-getUnitNames"></a><h3>tool_physic_getUnitNames ()</h3>
<pre class="programlisting">const <a href="/usr/share/gtk-doc/html/glib/glib-Basic-Types.html#gchar"><span class="returnvalue">gchar</span></a>** tool_physic_getUnitNames (<em class="parameter"><code><span class="type">void</span></code></em>);</pre>
<p>
It provides the names corresponding to each units.
</p>
<div class="variablelist"><table border="0">
<col align="left" valign="top">
<tbody><tr>
<td><p><span class="term"><span class="emphasis"><em>Returns</em></span> :</span></p></td>
<td> an array, null terminated of strings. It is owned by V_Sim.
</td>
</tr></tbody>
</table></div>
<p class="since">Since 3.5</p>
</div>
<hr>
<div class="refsect2" title="tool_physic_getUnitValueInMeter ()">
<a name="tool-physic-getUnitValueInMeter"></a><h3>tool_physic_getUnitValueInMeter ()</h3>
<pre class="programlisting"><span class="returnvalue">float</span> tool_physic_getUnitValueInMeter (<em class="parameter"><code><a class="link" href="v-sim-toolPhysic.html#ToolUnits" title="enum ToolUnits"><span class="type">ToolUnits</span></a> unit</code></em>);</pre>
<p>
It provides the factor used to transform <em class="parameter"><code>unit</code></em> into meters.
</p>
<div class="variablelist"><table border="0">
<col align="left" valign="top">
<tbody>
<tr>
<td><p><span class="term"><em class="parameter"><code>unit</code></em> :</span></p></td>
<td>a <a class="link" href="v-sim-toolPhysic.html#ToolUnits" title="enum ToolUnits"><span class="type">ToolUnits</span></a>.
</td>
</tr>
<tr>
<td><p><span class="term"><span class="emphasis"><em>Returns</em></span> :</span></p></td>
<td> a factor.
</td>
</tr>
</tbody>
</table></div>
<p class="since">Since 3.5</p>
</div>
<hr>
<div class="refsect2" title="tool_physic_getUnitFromName ()">
<a name="tool-physic-getUnitFromName"></a><h3>tool_physic_getUnitFromName ()</h3>
<pre class="programlisting"><a class="link" href="v-sim-toolPhysic.html#ToolUnits" title="enum ToolUnits"><span class="returnvalue">ToolUnits</span></a> tool_physic_getUnitFromName (<em class="parameter"><code>const <a href="/usr/share/gtk-doc/html/glib/glib-Basic-Types.html#gchar"><span class="type">gchar</span></a> *name</code></em>);</pre>
<p>
Find the unit corresponding to the <em class="parameter"><code>name</code></em>. If none is found,
<a class="link" href="v-sim-toolPhysic.html#unit-undefined"><span class="type">unit_undefined</span></a> is returned.
</p>
<div class="variablelist"><table border="0">
<col align="left" valign="top">
<tbody>
<tr>
<td><p><span class="term"><em class="parameter"><code>name</code></em> :</span></p></td>
<td>a unit name.
</td>
</tr>
<tr>
<td><p><span class="term"><span class="emphasis"><em>Returns</em></span> :</span></p></td>
<td> a <a class="link" href="v-sim-toolPhysic.html#ToolUnits" title="enum ToolUnits"><span class="type">ToolUnits</span></a>.
</td>
</tr>
</tbody>
</table></div>
<p class="since">Since 3.5</p>
</div>
</div>
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