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gnome-chemistry-utils-devel-0.14.8-6.mga5.i586.rpm

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   <div id="projectname">The Gnome Chemistry Utils
   &#160;<span id="projectnumber">0.14.8</span>
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<li class="navelem"><a class="el" href="namespacegcugtk.html">gcugtk</a></li><li class="navelem"><a class="el" href="classgcugtk_1_1Molecule.html">Molecule</a></li>  </ul>
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<a href="#pub-methods">Public Member Functions</a> &#124;
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<p><code>#include &lt;<a class="el" href="gcugtk_2molecule_8h_source.html">gcugtk/molecule.h</a>&gt;</code></p>
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Inheritance diagram for gcugtk::Molecule:</div>
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<area href="classgcu_1_1Object.html" alt="gcu::Object" shape="rect" coords="0,0,107,24"/>
<area href="classgcp_1_1Molecule.html" title="GChemPaint molecule class. " alt="gcp::Molecule" shape="rect" coords="0,168,107,192"/>
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<table class="memberdecls">
<tr class="heading"><td colspan="2"><h2 class="groupheader"><a name="pub-methods"></a>
Public Member Functions</h2></td></tr>
<tr class="memitem:a1401d362630be6d95756f6b58b93bdb7"><td class="memItemLeft" align="right" valign="top">&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcugtk_1_1Molecule.html#a1401d362630be6d95756f6b58b93bdb7">Molecule</a> (<a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">gcu::TypeId</a> Type=gcu::MoleculeType, <a class="el" href="namespacegcu.html#a662cb06e31132a49034b70b48a5f2b8f">gcu::ContentType</a> ct=<a class="el" href="namespacegcu.html#a662cb06e31132a49034b70b48a5f2b8fa4684bb2abdb70d1ce573189f1419ca8e">gcu::ContentType3D</a>)</td></tr>
<tr class="separator:a1401d362630be6d95756f6b58b93bdb7"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a6f2e9626db181f6f9ce511df8e6b1327"><td class="memItemLeft" align="right" valign="top">&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcugtk_1_1Molecule.html#a6f2e9626db181f6f9ce511df8e6b1327">Molecule</a> (<a class="el" href="classgcu_1_1Atom.html">gcu::Atom</a> *pAtom, <a class="el" href="namespacegcu.html#a662cb06e31132a49034b70b48a5f2b8f">gcu::ContentType</a> ct=<a class="el" href="namespacegcu.html#a662cb06e31132a49034b70b48a5f2b8fa4684bb2abdb70d1ce573189f1419ca8e">gcu::ContentType3D</a>)</td></tr>
<tr class="separator:a6f2e9626db181f6f9ce511df8e6b1327"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a17187be56d3a2e96c9611c594f4c16a2"><td class="memItemLeft" align="right" valign="top">virtual&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcugtk_1_1Molecule.html#a17187be56d3a2e96c9611c594f4c16a2">~Molecule</a> ()</td></tr>
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<tr class="memitem:ad9b0a71707bfcb8cac849607ac18f8ed"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcugtk_1_1Molecule.html#ad9b0a71707bfcb8cac849607ac18f8ed">BuildDatabasesMenu</a> (GtkUIManager *<a class="el" href="classgcugtk_1_1UIManager.html">UIManager</a>, char const *path, char const *path_end)</td></tr>
<tr class="separator:ad9b0a71707bfcb8cac849607ac18f8ed"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="inherit_header pub_methods_classgcu_1_1Molecule"><td colspan="2" onclick="javascript:toggleInherit('pub_methods_classgcu_1_1Molecule')"><img src="closed.png" alt="-"/>&#160;Public Member Functions inherited from <a class="el" href="classgcu_1_1Molecule.html">gcu::Molecule</a></td></tr>
<tr class="memitem:a5c80e950f8a9d02283d8b04c1c89f3f7 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a5c80e950f8a9d02283d8b04c1c89f3f7">Molecule</a> (<a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a> Type=MoleculeType, <a class="el" href="namespacegcu.html#a662cb06e31132a49034b70b48a5f2b8f">ContentType</a> ct=<a class="el" href="namespacegcu.html#a662cb06e31132a49034b70b48a5f2b8fa4684bb2abdb70d1ce573189f1419ca8e">ContentType3D</a>)</td></tr>
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<tr class="memitem:ab9ec078566194173ab67d60074b6b245 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#ab9ec078566194173ab67d60074b6b245">AddChild</a> (<a class="el" href="classgcu_1_1Object.html">Object</a> *object)</td></tr>
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<tr class="memitem:a2f277cc2b9f40b2ece88df56c1fe5c95 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">virtual void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a2f277cc2b9f40b2ece88df56c1fe5c95">AddAtom</a> (<a class="el" href="classgcu_1_1Atom.html">Atom</a> *pAtom)</td></tr>
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<tr class="memitem:a30a68fe89c3c1f81497ec1498acc1012 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">virtual void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a30a68fe89c3c1f81497ec1498acc1012">AddBond</a> (<a class="el" href="classgcu_1_1Bond.html">Bond</a> *pBond)</td></tr>
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<tr class="memitem:a283c641732a0d9768254d934445efea6 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a283c641732a0d9768254d934445efea6">UpdateCycles</a> (<a class="el" href="classgcu_1_1Bond.html">Bond</a> *pBond)</td></tr>
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<tr class="memitem:a8e2afa9634a94587b3fc6bb01da41784 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a8e2afa9634a94587b3fc6bb01da41784">operator==</a> (<a class="el" href="classgcu_1_1Molecule.html">Molecule</a> const &amp;molecule) const </td></tr>
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<tr class="memitem:a77aef9f22d2aabf21a237deace2f86b2 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a77aef9f22d2aabf21a237deace2f86b2">SetName</a> (char const *name, char const *convention)</td></tr>
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<tr class="memitem:a1d497f446c24f935a5c9e786f05788ad inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">char const *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a1d497f446c24f935a5c9e786f05788ad">GetName</a> (char const *convention=NULL)</td></tr>
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<tr class="memitem:a4254a7135bdf0265a6199f2a8707ddd0 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">std::string&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a4254a7135bdf0265a6199f2a8707ddd0">Name</a> ()</td></tr>
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<tr class="memitem:ad93bfcfae597bf78ac655801319dbd49 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#ad93bfcfae597bf78ac655801319dbd49">ResetIndentifiers</a> ()</td></tr>
<tr class="separator:ad93bfcfae597bf78ac655801319dbd49 inherit pub_methods_classgcu_1_1Molecule"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a914e97b43bcdf0262cc71f3e576d6a98 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">std::string const &amp;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a914e97b43bcdf0262cc71f3e576d6a98">GetCML</a> ()</td></tr>
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<tr class="memitem:a87f086317cf795225793431eb77754db inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a87f086317cf795225793431eb77754db">ClearCycles</a> ()</td></tr>
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<tr class="memitem:a440907f7a0b9e8467aaa97c56866c392 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">std::string const &amp;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a440907f7a0b9e8467aaa97c56866c392">GetInChI</a> ()</td></tr>
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<tr class="memitem:a3d16f78ffa1a8fe340cd555f2b12ec20 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">std::string const &amp;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a3d16f78ffa1a8fe340cd555f2b12ec20">GetInChIKey</a> ()</td></tr>
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<tr class="memitem:aa49799eef938ec7f1794000ddce01c51 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">std::string const &amp;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#aa49799eef938ec7f1794000ddce01c51">GetSMILES</a> ()</td></tr>
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<tr class="memitem:aa4e0698faf9877b572f621492c82fac0 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">virtual std::string&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#aa4e0698faf9877b572f621492c82fac0">GetRawFormula</a> () const </td></tr>
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<tr class="inherit_header pub_methods_classgcu_1_1Object"><td colspan="2" onclick="javascript:toggleInherit('pub_methods_classgcu_1_1Object')"><img src="closed.png" alt="-"/>&#160;Public Member Functions inherited from <a class="el" href="classgcu_1_1Object.html">gcu::Object</a></td></tr>
<tr class="memitem:a6f15e766fdfb066008bd4b0779574549 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a6f15e766fdfb066008bd4b0779574549">Object</a> (<a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a> Id=OtherType)</td></tr>
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<tr class="memitem:a3e575300e517594b0c2c161d6e704352 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a3e575300e517594b0c2c161d6e704352">~Object</a> ()</td></tr>
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<tr class="memitem:ac45cdb13cf013066a3704054c9d06ed0 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#ac45cdb13cf013066a3704054c9d06ed0">SetId</a> (gchar const *Id)</td></tr>
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<tr class="memitem:aef94f9435a51669a518b5a713f24e7ca inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">char const *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#aef94f9435a51669a518b5a713f24e7ca">GetId</a> () const </td></tr>
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<tr class="memitem:a274432165e22fa89a375eded192631db inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Document.html">Document</a> *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a274432165e22fa89a375eded192631db">GetDocument</a> () const </td></tr>
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<tr class="memitem:ab65facd99621938dfbd6330ccee1e9f7 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Application.html">Application</a> *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#ab65facd99621938dfbd6330ccee1e9f7">GetApplication</a> () const </td></tr>
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<tr class="memitem:ab70083d7ebb2cf32180c5383b5bb428c inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Object.html">Object</a> *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#ab70083d7ebb2cf32180c5383b5bb428c">GetDescendant</a> (const char *Id) const </td></tr>
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<tr class="memitem:abacb2c2002726a3237ffbd0e50e3df52 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Object.html">Object</a> *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#abacb2c2002726a3237ffbd0e50e3df52">GetParent</a> () const </td></tr>
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<tr class="memitem:a0ffe1f48151c92f167eeec303277e45c inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a0ffe1f48151c92f167eeec303277e45c">SetParent</a> (<a class="el" href="classgcu_1_1Object.html">Object</a> *Parent)</td></tr>
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<tr class="memitem:aad462441e79fbd93e158f8294a198d11 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual xmlNodePtr&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#aad462441e79fbd93e158f8294a198d11">Save</a> (xmlDocPtr xml) const </td></tr>
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<tr class="memitem:aa3ee33c25154d8e7bbe1e39de970c489 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#aa3ee33c25154d8e7bbe1e39de970c489">Load</a> (xmlNodePtr node)</td></tr>
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<tr class="memitem:a7ae5e90dd76580aee332c6ef59e89298 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a7ae5e90dd76580aee332c6ef59e89298">GetCoords</a> (double *x, double *y, double *z=NULL) const </td></tr>
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<tr class="memitem:af5505430c421604ff7e26e4414197fbc inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#af5505430c421604ff7e26e4414197fbc">Move</a> (double x, double y, double z=0.)</td></tr>
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<tr class="memitem:a69ad6edf7d50950b036f09d9ff86f849 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a69ad6edf7d50950b036f09d9ff86f849">Transform2D</a> (<a class="el" href="classgcu_1_1Matrix2D.html">Matrix2D</a> &amp;m, double x, double y)</td></tr>
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<tr class="memitem:a07de41cb137a650b51920d6186fc82d7 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a07de41cb137a650b51920d6186fc82d7">SaveChildren</a> (xmlDocPtr xml, xmlNodePtr node) const </td></tr>
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<tr class="memitem:a5f99b290d7e48c38738342dfc984865d inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a5f99b290d7e48c38738342dfc984865d">SaveId</a> (xmlNodePtr node) const </td></tr>
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<tr class="memitem:a4e8712098d673c958fb0c72488058f80 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">xmlNodePtr&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a4e8712098d673c958fb0c72488058f80">GetNodeByName</a> (xmlNodePtr node, char const *<a class="el" href="classgcu_1_1Object.html#ae19033807f4b7ee9321f308bb0ffd3b9">Name</a>)</td></tr>
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<tr class="memitem:a2dc10bf48d3ebfe86853cace21e9abf2 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">xmlNodePtr&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a2dc10bf48d3ebfe86853cace21e9abf2">GetNextNodeByName</a> (xmlNodePtr node, char const *<a class="el" href="classgcu_1_1Object.html#ae19033807f4b7ee9321f308bb0ffd3b9">Name</a>)</td></tr>
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<tr class="memitem:a28f682a2891b17ae57c5f346c95d6f50 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a28f682a2891b17ae57c5f346c95d6f50">HasChildren</a> () const </td></tr>
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<tr class="memitem:a5e3d6fbdc8b10a9dbf43de2c052fff05 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">unsigned&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a5e3d6fbdc8b10a9dbf43de2c052fff05">GetChildrenNumber</a> () const </td></tr>
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<tr class="memitem:aa47c38061c6a2e51947d89c86fbae630 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual <a class="el" href="classgcu_1_1Object.html">Object</a> *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#aa47c38061c6a2e51947d89c86fbae630">GetAtomAt</a> (double x, double y, double z=0.)</td></tr>
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<tr class="memitem:af1da4274cbbf0ca56bf8d380743d49e7 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#af1da4274cbbf0ca56bf8d380743d49e7">Build</a> (std::set&lt; <a class="el" href="classgcu_1_1Object.html">Object</a> * &gt; const &amp;Children)  throw (std::invalid_argument)</td></tr>
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<tr class="memitem:aedeec6e6b66e1a35e6d2f3ef75c94a09 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#aedeec6e6b66e1a35e6d2f3ef75c94a09">GetYAlign</a> ()</td></tr>
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<tr class="memitem:acc55e92f84843058139d3a729aa6afcb inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#acc55e92f84843058139d3a729aa6afcb">BuildContextualMenu</a> (<a class="el" href="classgcu_1_1UIManager.html">UIManager</a> *uim, <a class="el" href="classgcu_1_1Object.html">Object</a> *object, double x, double y)</td></tr>
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<tr class="memitem:acf16b429a6875e5620fa8051446ef34c inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#acf16b429a6875e5620fa8051446ef34c">EmitSignal</a> (<a class="el" href="namespacegcu.html#af13348b065987fa4ca74ca0fb1ffa48e">SignalId</a> Signal)</td></tr>
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<tr class="memitem:a1ad183ecf7e5b5c42db100da03221e46 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a1ad183ecf7e5b5c42db100da03221e46">OnSignal</a> (<a class="el" href="namespacegcu.html#af13348b065987fa4ca74ca0fb1ffa48e">SignalId</a> Signal, <a class="el" href="classgcu_1_1Object.html">Object</a> *Child)</td></tr>
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<tr class="memitem:a8b4da97be50a4ceea941ab8aa8ece825 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a8b4da97be50a4ceea941ab8aa8ece825">Lock</a> (bool state=true)</td></tr>
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<tr class="memitem:a4094e3d8cf58a6f9de9cb6c6b6fed8c8 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a4094e3d8cf58a6f9de9cb6c6b6fed8c8">IsLocked</a> ()</td></tr>
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<tr class="memitem:a0173055f0ba60038d9d913b5f09bb354 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a0173055f0ba60038d9d913b5f09bb354">Link</a> (<a class="el" href="classgcu_1_1Object.html">Object</a> *object)</td></tr>
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<tr class="memitem:a606a257c41cd9cc177c98958fdf2ae3d inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a606a257c41cd9cc177c98958fdf2ae3d">Unlink</a> (<a class="el" href="classgcu_1_1Object.html">Object</a> *object)</td></tr>
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<tr class="memitem:a01ea0147ad675e139ddea7aaa2af503c inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a01ea0147ad675e139ddea7aaa2af503c">SetDirty</a> (bool dirty=true)</td></tr>
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<tr class="memitem:aceff810bb8bfad7f9a7152eef3dfe46e inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual char const *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#aceff810bb8bfad7f9a7152eef3dfe46e">HasPropertiesDialog</a> () const </td></tr>
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<tr class="memitem:a71e2333cf4d47abdd272a8709361829f inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a71e2333cf4d47abdd272a8709361829f">GetDirty</a> (void) const </td></tr>
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</table><table class="memberdecls">
<tr class="heading"><td colspan="2"><h2 class="groupheader"><a name="inherited"></a>
Additional Inherited Members</h2></td></tr>
<tr class="inherit_header pub_static_methods_classgcu_1_1Molecule"><td colspan="2" onclick="javascript:toggleInherit('pub_static_methods_classgcu_1_1Molecule')"><img src="closed.png" alt="-"/>&#160;Static Public Member Functions inherited from <a class="el" href="classgcu_1_1Molecule.html">gcu::Molecule</a></td></tr>
<tr class="memitem:a9a41f121b26ddb33a88cdba1302d0644 inherit pub_static_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">static <a class="el" href="classgcu_1_1Molecule.html">Molecule</a> *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a9a41f121b26ddb33a88cdba1302d0644">MoleculeFromFormula</a> (<a class="el" href="classgcu_1_1Document.html">Document</a> *Doc, <a class="el" href="classgcu_1_1Formula.html">Formula</a> const &amp;formula, bool add_pseudo=true)</td></tr>
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<tr class="inherit_header pub_static_methods_classgcu_1_1Object"><td colspan="2" onclick="javascript:toggleInherit('pub_static_methods_classgcu_1_1Object')"><img src="closed.png" alt="-"/>&#160;Static Public Member Functions inherited from <a class="el" href="classgcu_1_1Object.html">gcu::Object</a></td></tr>
<tr class="memitem:aea6734ca6bde8ae3e0788db43928f42e inherit pub_static_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">static <a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a>&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#aea6734ca6bde8ae3e0788db43928f42e">AddType</a> (std::string TypeName, <a class="el" href="classgcu_1_1Object.html">Object</a> *(*CreateFunc)(), <a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a> id=OtherType)</td></tr>
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<tr class="memitem:a3645f28b3df32308f135ec5b0aac0793 inherit pub_static_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">static void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a3645f28b3df32308f135ec5b0aac0793">AddAlias</a> (<a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a> id, std::string TypeName)</td></tr>
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<tr class="memitem:a0d3837f66eccae5ce73573ca95930dbc inherit pub_static_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">static <a class="el" href="classgcu_1_1Object.html">Object</a> *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a0d3837f66eccae5ce73573ca95930dbc">CreateObject</a> (const std::string &amp;TypeName, <a class="el" href="classgcu_1_1Object.html">Object</a> *parent=NULL)</td></tr>
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<tr class="memitem:a6038f7f7c0f58cd1aa12bd8237ac1024 inherit pub_static_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">static <a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a>&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a6038f7f7c0f58cd1aa12bd8237ac1024">GetTypeId</a> (const std::string &amp;<a class="el" href="classgcu_1_1Object.html#ae19033807f4b7ee9321f308bb0ffd3b9">Name</a>)</td></tr>
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<tr class="memitem:a9e57005d5129e341ce3dcd4d3c188eaf inherit pub_static_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">static std::string&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a9e57005d5129e341ce3dcd4d3c188eaf">GetTypeName</a> (<a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a> Id)</td></tr>
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<tr class="memitem:a47d2dd181c9934ab4671c526a251295f inherit pub_static_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">static void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a47d2dd181c9934ab4671c526a251295f">AddMenuCallback</a> (<a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a> Id, <a class="el" href="namespacegcu.html#aea85ee1e0ab66342f28448b2e7a9174d">BuildMenuCb</a> cb)</td></tr>
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<tr class="memitem:a3eb4fd4787f224f5e7e3e5f8d1fc2abb inherit pub_static_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">static void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a3eb4fd4787f224f5e7e3e5f8d1fc2abb">AddRule</a> (<a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a> type1, <a class="el" href="namespacegcu.html#a19c49d12e7c0a96ae2be6c6c33c44b47">RuleId</a> rule, <a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a> type2)</td></tr>
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<tr class="memitem:a13348c710f80100519c94d10dff3d0e0 inherit pub_static_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">static void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a13348c710f80100519c94d10dff3d0e0">AddRule</a> (const std::string &amp;type1, <a class="el" href="namespacegcu.html#a19c49d12e7c0a96ae2be6c6c33c44b47">RuleId</a> rule, const std::string &amp;type2)</td></tr>
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<tr class="memitem:a96a3ea77a33f4721399f00e6b341cde2 inherit pub_static_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">static const std::set&lt; <a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a> &gt; &amp;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a96a3ea77a33f4721399f00e6b341cde2">GetRules</a> (<a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a> type, <a class="el" href="namespacegcu.html#a19c49d12e7c0a96ae2be6c6c33c44b47">RuleId</a> rule)</td></tr>
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<tr class="memitem:a44d44e134f05976140e8e4686b0cd936 inherit pub_static_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">static const std::set&lt; <a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a> &gt; &amp;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a44d44e134f05976140e8e4686b0cd936">GetRules</a> (const std::string &amp;type, <a class="el" href="namespacegcu.html#a19c49d12e7c0a96ae2be6c6c33c44b47">RuleId</a> rule)</td></tr>
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<tr class="memitem:a8159c48a642f3410913e635e23d77f24 inherit pub_static_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">static void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a8159c48a642f3410913e635e23d77f24">SetCreationLabel</a> (<a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a> Id, std::string Label)</td></tr>
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<tr class="memitem:a90c6d068fdbea8cffe8690f177b5c939 inherit pub_static_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">static const std::string &amp;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a90c6d068fdbea8cffe8690f177b5c939">GetCreationLabel</a> (<a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a> Id)</td></tr>
<tr class="separator:a90c6d068fdbea8cffe8690f177b5c939 inherit pub_static_methods_classgcu_1_1Object"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:a591fb1674ad415be983b6810ef484326 inherit pub_static_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">static const std::string &amp;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a591fb1674ad415be983b6810ef484326">GetCreationLabel</a> (const std::string &amp;TypeName)</td></tr>
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<tr class="memitem:a380275771a250b94785e43286525c74e inherit pub_static_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">static <a class="el" href="namespacegcu.html#af13348b065987fa4ca74ca0fb1ffa48e">SignalId</a>&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a380275771a250b94785e43286525c74e">CreateNewSignalId</a> ()</td></tr>
<tr class="separator:a380275771a250b94785e43286525c74e inherit pub_static_methods_classgcu_1_1Object"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="inherit_header pro_methods_classgcu_1_1Object"><td colspan="2" onclick="javascript:toggleInherit('pro_methods_classgcu_1_1Object')"><img src="closed.png" alt="-"/>&#160;Protected Member Functions inherited from <a class="el" href="classgcu_1_1Object.html">gcu::Object</a></td></tr>
<tr class="memitem:a98a9025b609f6ba46ab3b273792ee51e inherit pro_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual <a class="el" href="classgcu_1_1Dialog.html">Dialog</a> *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a98a9025b609f6ba46ab3b273792ee51e">BuildPropertiesDialog</a> ()</td></tr>
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<tr class="inherit_header pro_attribs_classgcu_1_1Molecule"><td colspan="2" onclick="javascript:toggleInherit('pro_attribs_classgcu_1_1Molecule')"><img src="closed.png" alt="-"/>&#160;Protected Attributes inherited from <a class="el" href="classgcu_1_1Molecule.html">gcu::Molecule</a></td></tr>
<tr class="memitem:a936ef484763b9a9ace3ced4a847eb251 inherit pro_attribs_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">std::list&lt; <a class="el" href="classgcu_1_1Cycle.html">Cycle</a> * &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a936ef484763b9a9ace3ced4a847eb251">m_Cycles</a></td></tr>
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<tr class="memitem:aa9d30f8cfd6f87fdd84fd07aef21f4b0 inherit pro_attribs_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">std::list&lt; <a class="el" href="classgcu_1_1Chain.html">Chain</a> * &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#aa9d30f8cfd6f87fdd84fd07aef21f4b0">m_Chains</a></td></tr>
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<tr class="memitem:adcad89ca2f5c358068b466a99ce9a7cd inherit pro_attribs_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">std::list&lt; <a class="el" href="classgcu_1_1Atom.html">Atom</a> * &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#adcad89ca2f5c358068b466a99ce9a7cd">m_Atoms</a></td></tr>
<tr class="separator:adcad89ca2f5c358068b466a99ce9a7cd inherit pro_attribs_classgcu_1_1Molecule"><td class="memSeparator" colspan="2">&#160;</td></tr>
<tr class="memitem:ab939115e2e636a22de80176dbed6811c inherit pro_attribs_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">std::list&lt; <a class="el" href="classgcu_1_1Bond.html">Bond</a> * &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#ab939115e2e636a22de80176dbed6811c">m_Bonds</a></td></tr>
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<a name="details" id="details"></a><h2 class="groupheader">Detailed Description</h2>
<div class="textblock"><p>Provide some uiser interface for molecules. </p>

<p>Definition at line <a class="el" href="gcugtk_2molecule_8h_source.html#l00037">37</a> of file <a class="el" href="gcugtk_2molecule_8h_source.html">gcugtk/molecule.h</a>.</p>
</div><h2 class="groupheader">Constructor &amp; Destructor Documentation</h2>
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          <td class="memname">gcugtk::Molecule::Molecule </td>
          <td>(</td>
          <td class="paramtype"><a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">gcu::TypeId</a>&#160;</td>
          <td class="paramname"><em>Type</em> = <code>gcu::MoleculeType</code>, </td>
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          <td class="paramname"><em>ct</em> = <code><a class="el" href="namespacegcu.html#a662cb06e31132a49034b70b48a5f2b8fa4684bb2abdb70d1ce573189f1419ca8e">gcu::ContentType3D</a></code>&#160;</td>
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          <td>)</td>
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<dl class="params"><dt>Parameters</dt><dd>
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    <tr><td class="paramname">Type</td><td>the type id of a derived class </td></tr>
    <tr><td class="paramname">ct</td><td>the content type for the molecule (2d or 3d), defaults to ContentType3D.</td></tr>
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<p>The constructor. The type id may be changed in derived classes, otherwise the argument is not needed, since the default value is enough. </p>

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          <td class="memname">gcugtk::Molecule::Molecule </td>
          <td>(</td>
          <td class="paramtype"><a class="el" href="classgcu_1_1Atom.html">gcu::Atom</a> *&#160;</td>
          <td class="paramname"><em>pAtom</em>, </td>
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          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype"><a class="el" href="namespacegcu.html#a662cb06e31132a49034b70b48a5f2b8f">gcu::ContentType</a>&#160;</td>
          <td class="paramname"><em>ct</em> = <code><a class="el" href="namespacegcu.html#a662cb06e31132a49034b70b48a5f2b8fa4684bb2abdb70d1ce573189f1419ca8e">gcu::ContentType3D</a></code>&#160;</td>
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          <td>)</td>
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<dl class="params"><dt>Parameters</dt><dd>
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    <tr><td class="paramname">pAtom</td><td></td></tr>
    <tr><td class="paramname">ct</td><td>the content type for the molecule (2d or 3d), defaults to ContentType3D.</td></tr>
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<p>Builds a molecule from an atom. If the atom has bonds, the connectivity will be explored and all atoms and bonds found will be added to the molecule. </p>

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          <td class="memname">virtual gcugtk::Molecule::~Molecule </td>
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<p>The destructor. </p>

<p>Reimplemented from <a class="el" href="classgcu_1_1Molecule.html#a27d96d88547230d32ea7f8bfc6601742">gcu::Molecule</a>.</p>

<p>Reimplemented in <a class="el" href="classgcp_1_1Molecule.html#a617ada73c8a4f5180b895cab04debcc2">gcp::Molecule</a>.</p>

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<h2 class="groupheader">Member Function Documentation</h2>
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          <td class="memname">void gcugtk::Molecule::BuildDatabasesMenu </td>
          <td>(</td>
          <td class="paramtype">GtkUIManager *&#160;</td>
          <td class="paramname"><em>UIManager</em>, </td>
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          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype">char const *&#160;</td>
          <td class="paramname"><em>path</em>, </td>
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          <td></td>
          <td class="paramtype">char const *&#160;</td>
          <td class="paramname"><em>path_end</em>&#160;</td>
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          <td>)</td>
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<dl class="params"><dt>Parameters</dt><dd>
  <table class="params">
    <tr><td class="paramname"><a class="el" href="classgcugtk_1_1UIManager.html" title="A GtkUIManager wrapper. ">UIManager</a></td><td>a GtkUIManager. </td></tr>
    <tr><td class="paramname">path</td><td>the path to insert before each new action entry. </td></tr>
    <tr><td class="paramname">path_end</td><td>the path to insert after each new action entry.</td></tr>
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<p>Adds menu entry for databases access. </p>

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<hr/>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="gcugtk_2molecule_8h_source.html">gcugtk/molecule.h</a></li>
</ul>
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