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<div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1MolecularFormula.html">MolecularFormula</a>
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<h1>sc::MolecularFormula Class Reference</h1><!-- doxytag: class="sc::MolecularFormula" -->The <a class="el" href="classsc_1_1MolecularFormula.html" title="The MolecularFormula class is used to calculate the molecular formula of a Molecule...">MolecularFormula</a> class is used to calculate the molecular formula of a <a class="el" href="classsc_1_1Molecule.html" title="The Molecule class contains information about molecules.">Molecule</a>.
<a href="#_details">More...</a>
<p>
<code>#include <<a class="el" href="formula_8h_source.html">formula.h</a>></code>
<p>
<p>
<a href="classsc_1_1MolecularFormula-members.html">List of all members.</a><table border="0" cellpadding="0" cellspacing="0">
<tr><td></td></tr>
<tr><td colspan="2"><br><h2>Public Member Functions</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="ae6d78ce8c1ca1ed0a32df261ed6a42e"></a><!-- doxytag: member="sc::MolecularFormula::MolecularFormula" ref="ae6d78ce8c1ca1ed0a32df261ed6a42e" args="(const Ref< Molecule > &m)" -->
</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MolecularFormula.html#ae6d78ce8c1ca1ed0a32df261ed6a42e">MolecularFormula</a> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1Molecule.html">Molecule</a> > &m)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Constructors. The argument must be nonnull. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="47ab8e2b2b5490a6f1c78cd4efaa842c"></a><!-- doxytag: member="sc::MolecularFormula::MolecularFormula" ref="47ab8e2b2b5490a6f1c78cd4efaa842c" args="(const Molecule *m)" -->
</td><td class="memItemRight" valign="bottom"><b>MolecularFormula</b> (const <a class="el" href="classsc_1_1Molecule.html">Molecule</a> *m)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="4fe4146b027c15a0b99a07fa43267af6"></a><!-- doxytag: member="sc::MolecularFormula::formula" ref="4fe4146b027c15a0b99a07fa43267af6" args="() const " -->
const char * </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MolecularFormula.html#4fe4146b027c15a0b99a07fa43267af6">formula</a> () const </td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Returns a null terminated string containing the molecular formula. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="ef30fe0466dcfa855a0f2090159fd3a1"></a><!-- doxytag: member="sc::MolecularFormula::natomtypes" ref="ef30fe0466dcfa855a0f2090159fd3a1" args="()" -->
int </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MolecularFormula.html#ef30fe0466dcfa855a0f2090159fd3a1">natomtypes</a> ()</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Returns the number of atomtypes. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="3215e2a915b99e9fa03d62f498d0103c"></a><!-- doxytag: member="sc::MolecularFormula::Z" ref="3215e2a915b99e9fa03d62f498d0103c" args="(int itype)" -->
int </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MolecularFormula.html#3215e2a915b99e9fa03d62f498d0103c">Z</a> (int itype)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Returns atomic number of given atomtypeindex. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="1b82b3c2816d8fcf60acf73de90bb75e"></a><!-- doxytag: member="sc::MolecularFormula::nZ" ref="1b82b3c2816d8fcf60acf73de90bb75e" args="(int itype)" -->
int </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MolecularFormula.html#1b82b3c2816d8fcf60acf73de90bb75e">nZ</a> (int itype)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Returns number of atoms of given atomtypeindex. <br></td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
The <a class="el" href="classsc_1_1MolecularFormula.html" title="The MolecularFormula class is used to calculate the molecular formula of a Molecule...">MolecularFormula</a> class is used to calculate the molecular formula of a <a class="el" href="classsc_1_1Molecule.html" title="The Molecule class contains information about molecules.">Molecule</a>.
<p>
There is only one constructor which takes <a class="el" href="classsc_1_1Ref.html">Ref<Molecule></a> as input. <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></ul>
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