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<div id="projectname">The Gnome Chemistry Utils
 <span id="projectnumber">0.14.2</span>
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<li class="navelem"><a class="el" href="namespacegcp.html">gcp</a></li><li class="navelem"><a class="el" href="classgcp_1_1Molecule.html">Molecule</a></li> </ul>
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<p>GChemPaint molecule class.
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<p><code>#include <<a class="el" href="gcp_2molecule_8h_source.html">gcp/molecule.h</a>></code></p>
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Inheritance diagram for gcp::Molecule:</div>
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Public Member Functions</h2></td></tr>
<tr class="memitem:a87a50241159cfdf8b55cd5f76280cd2a"><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#a87a50241159cfdf8b55cd5f76280cd2a">Molecule</a> (<a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">gcu::TypeId</a> Type=gcu::MoleculeType)</td></tr>
<tr class="memitem:af00b30e1024eae871bf9e3a27f193dc8"><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#af00b30e1024eae871bf9e3a27f193dc8">Molecule</a> (<a class="el" href="classgcp_1_1Atom.html">Atom</a> *pAtom)</td></tr>
<tr class="memitem:a617ada73c8a4f5180b895cab04debcc2"><td class="memItemLeft" align="right" valign="top">virtual </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#a617ada73c8a4f5180b895cab04debcc2">~Molecule</a> ()</td></tr>
<tr class="memitem:ae382280cbed9d5428b41e64c3cc7cf5e"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#ae382280cbed9d5428b41e64c3cc7cf5e">AddChild</a> (<a class="el" href="classgcu_1_1Object.html">gcu::Object</a> *object)</td></tr>
<tr class="memitem:ab6d82e3990b47e5a066e0eb2f629ad92"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#ab6d82e3990b47e5a066e0eb2f629ad92">AddAtom</a> (<a class="el" href="classgcu_1_1Atom.html">gcu::Atom</a> *pAtom)</td></tr>
<tr class="memitem:a7b8e0ddf66a62a0d149062632c08e3ce"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#a7b8e0ddf66a62a0d149062632c08e3ce">AddFragment</a> (<a class="el" href="classgcp_1_1Fragment.html">Fragment</a> *pFragment)</td></tr>
<tr class="memitem:a47ebe171afdd3a3f8aed5bade9c3a5bc"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#a47ebe171afdd3a3f8aed5bade9c3a5bc">AddBond</a> (<a class="el" href="classgcu_1_1Bond.html">gcu::Bond</a> *pBond)</td></tr>
<tr class="memitem:a2ef5c5ded47d687ab48351ac4412b599"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#a2ef5c5ded47d687ab48351ac4412b599">Remove</a> (<a class="el" href="classgcu_1_1Object.html">gcu::Object</a> *pObject)</td></tr>
<tr class="memitem:ac76c57ec603a27b43209327c4d8cce5e"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#ac76c57ec603a27b43209327c4d8cce5e">Merge</a> (<a class="el" href="classgcp_1_1Molecule.html">Molecule</a> *pMolecule, bool RemoveDuplicates=false)</td></tr>
<tr class="memitem:af3abe215c266c862151b4301ea30495f"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#af3abe215c266c862151b4301ea30495f">Load</a> (xmlNodePtr node)</td></tr>
<tr class="memitem:ad4bb194b40610a85a7d5a894647dbae0"><td class="memItemLeft" align="right" valign="top">xmlNodePtr </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#ad4bb194b40610a85a7d5a894647dbae0">Save</a> (xmlDocPtr xml) const </td></tr>
<tr class="memitem:af6b63bd1a55c365f22af2c69c69a41ca"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#af6b63bd1a55c365f22af2c69c69a41ca">Clear</a> ()</td></tr>
<tr class="memitem:a7f6eb1535a5b6ae36d8d5a7bfe1ecce5"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#a7f6eb1535a5b6ae36d8d5a7bfe1ecce5">Transform2D</a> (<a class="el" href="classgcu_1_1Matrix2D.html">gcu::Matrix2D</a> &m, double x, double y)</td></tr>
<tr class="memitem:a9ec4a58d5060d29791336f54d8954d72"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Object.html#a6f15e766fdfb066008bd4b0779574549">Object</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#a9ec4a58d5060d29791336f54d8954d72">GetAtomAt</a> (double x, double y, double z=0.)</td></tr>
<tr class="memitem:a141ffeeff75f342eb90fb5aec87e4e81"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#a141ffeeff75f342eb90fb5aec87e4e81">GetYAlign</a> ()</td></tr>
<tr class="memitem:ac8784f72773072675fec56d05f0ab3c1"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#ac8784f72773072675fec56d05f0ab3c1">BuildContextualMenu</a> (<a class="el" href="classgcu_1_1UIManager.html">gcu::UIManager</a> *UIManager, <a class="el" href="classgcu_1_1Object.html">gcu::Object</a> *object, double x, double y)</td></tr>
<tr class="memitem:a523bef16f9be6ff01aeb3adf5afcd0d6"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#a523bef16f9be6ff01aeb3adf5afcd0d6">OnSignal</a> (<a class="el" href="namespacegcu.html#af13348b065987fa4ca74ca0fb1ffa48e">gcu::SignalId</a> Signal, <a class="el" href="classgcu_1_1Object.html">gcu::Object</a> *Child)</td></tr>
<tr class="memitem:ab0222b87475e9c9bf52a06bc1119c88e"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#ab0222b87475e9c9bf52a06bc1119c88e">SelectAlignmentItem</a> (<a class="el" href="classgcu_1_1Object.html">gcu::Object</a> *child)</td></tr>
<tr class="memitem:a3c2bd0629d723dfd530eacc571474a94"><td class="memItemLeft" align="right" valign="top">std::string </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#a3c2bd0629d723dfd530eacc571474a94">GetAlignmentId</a> ()</td></tr>
<tr class="memitem:ab30b793e3003aec4969b0b349ec82ac5"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#ab30b793e3003aec4969b0b349ec82ac5">OpenCalc</a> ()</td></tr>
<tr class="memitem:a80e413512fc8fa7e77e805ea01bdaef3"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#a80e413512fc8fa7e77e805ea01bdaef3">CheckCrossings</a> (<a class="el" href="classgcp_1_1Bond.html">Bond</a> *pBond)</td></tr>
<tr class="memitem:a99411028335058377bda5ac80483c50e"><td class="memItemLeft" align="right" valign="top">std::string </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#a99411028335058377bda5ac80483c50e">GetRawFormula</a> () const </td></tr>
<tr class="memitem:a37c6ce6b2910d96e6afa5bcdf42c1de3"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#a37c6ce6b2910d96e6afa5bcdf42c1de3">OnLoaded</a> ()</td></tr>
<tr class="memitem:ae6df1b3fd7f5068a82f1c9f33d0c2542"><td class="memItemLeft" align="right" valign="top">unsigned </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#ae6df1b3fd7f5068a82f1c9f33d0c2542">GetAtomsNumber</a> () const </td></tr>
<tr class="memitem:aba5f5d49b2632d36042caef47bba1251"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#aba5f5d49b2632d36042caef47bba1251">GetMeanBondLength</a> () const </td></tr>
<tr class="memitem:ac86b7897c752f38dc1276434f1e7d130"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#ac86b7897c752f38dc1276434f1e7d130">AddChiralAtom</a> (<a class="el" href="classgcp_1_1Atom.html">Atom</a> *atom)</td></tr>
<tr class="memitem:a1340d183b3204ff14933cebedab97db2"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Molecule.html#a1340d183b3204ff14933cebedab97db2">AtomIsChiral</a> (<a class="el" href="classgcp_1_1Atom.html">Atom</a> *atom) const </td></tr>
<tr class="inherit_header pub_methods_classgcugtk_1_1Molecule"><td colspan="2" onclick="javascript:toggleInherit('pub_methods_classgcugtk_1_1Molecule')"><img src="closed.png" alt="-"/> Public Member Functions inherited from <a class="el" href="classgcugtk_1_1Molecule.html">gcugtk::Molecule</a></td></tr>
<tr class="memitem:a1401d362630be6d95756f6b58b93bdb7 inherit pub_methods_classgcugtk_1_1Molecule"><td class="memItemLeft" align="right" valign="top"> </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="memitem:a6f2e9626db181f6f9ce511df8e6b1327 inherit pub_methods_classgcugtk_1_1Molecule"><td class="memItemLeft" align="right" valign="top"> </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="memitem:ad9b0a71707bfcb8cac849607ac18f8ed inherit pub_methods_classgcugtk_1_1Molecule"><td class="memItemLeft" align="right" valign="top">void </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="inherit_header pub_methods_classgcu_1_1Molecule"><td colspan="2" onclick="javascript:toggleInherit('pub_methods_classgcu_1_1Molecule')"><img src="closed.png" alt="-"/> Public Member Functions inherited from <a class="el" href="classgcu_1_1Molecule.html">gcu::Molecule</a></td></tr>
<tr class="memitem:a283c641732a0d9768254d934445efea6 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">void </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>
<tr class="memitem:abb8dc72dc84a7c22a553425f0c447195 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#abb8dc72dc84a7c22a553425f0c447195">UpdateCycles</a> ()</td></tr>
<tr class="memitem:a8e2afa9634a94587b3fc6bb01da41784 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">bool </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 &molecule) const </td></tr>
<tr class="memitem:a3c19f4e9a34dbe0a8138a08c5c5fccc5 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Atom.html">Atom</a> const * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a3c19f4e9a34dbe0a8138a08c5c5fccc5">GetFirstAtom</a> (std::list< <a class="el" href="classgcu_1_1Atom.html">Atom</a> * >::const_iterator &i) const </td></tr>
<tr class="memitem:a0b77aea73cf2936f596842643c32a211 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Atom.html">Atom</a> const * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a0b77aea73cf2936f596842643c32a211">GetNextAtom</a> (std::list< <a class="el" href="classgcu_1_1Atom.html">Atom</a> * >::const_iterator &i) const </td></tr>
<tr class="memitem:ac5b1209db07da379fd093a8422ffe568 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Bond.html">Bond</a> const * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#ac5b1209db07da379fd093a8422ffe568">GetFirstBond</a> (std::list< <a class="el" href="classgcu_1_1Bond.html">Bond</a> * >::const_iterator &i) const </td></tr>
<tr class="memitem:ac2f28b51b9236b869ad4abb2f6ad0a77 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Bond.html">Bond</a> const * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#ac2f28b51b9236b869ad4abb2f6ad0a77">GetNextBond</a> (std::list< <a class="el" href="classgcu_1_1Bond.html">Bond</a> * >::const_iterator &i) const </td></tr>
<tr class="memitem:a77aef9f22d2aabf21a237deace2f86b2 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">void </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>
<tr class="memitem:a1d497f446c24f935a5c9e786f05788ad inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">char const * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a1d497f446c24f935a5c9e786f05788ad">GetName</a> (char const *convention=NULL)</td></tr>
<tr class="memitem:a4254a7135bdf0265a6199f2a8707ddd0 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">std::string </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a4254a7135bdf0265a6199f2a8707ddd0">Name</a> ()</td></tr>
<tr class="memitem:ad93bfcfae597bf78ac655801319dbd49 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#ad93bfcfae597bf78ac655801319dbd49">ResetIndentifiers</a> ()</td></tr>
<tr class="memitem:a914e97b43bcdf0262cc71f3e576d6a98 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">std::string const & </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a914e97b43bcdf0262cc71f3e576d6a98">GetCML</a> ()</td></tr>
<tr class="memitem:a87f086317cf795225793431eb77754db inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a87f086317cf795225793431eb77754db">ClearCycles</a> ()</td></tr>
<tr class="memitem:a440907f7a0b9e8467aaa97c56866c392 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">std::string const & </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a440907f7a0b9e8467aaa97c56866c392">GetInChI</a> ()</td></tr>
<tr class="memitem:a3d16f78ffa1a8fe340cd555f2b12ec20 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">std::string const & </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a3d16f78ffa1a8fe340cd555f2b12ec20">GetInChIKey</a> ()</td></tr>
<tr class="memitem:aa49799eef938ec7f1794000ddce01c51 inherit pub_methods_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">std::string const & </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#aa49799eef938ec7f1794000ddce01c51">GetSMILES</a> ()</td></tr>
<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="-"/> 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"> </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>
<tr class="memitem:a3e575300e517594b0c2c161d6e704352 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a3e575300e517594b0c2c161d6e704352">~Object</a> ()</td></tr>
<tr class="memitem:a9c900a7a382cad4a995edbb10b8f179d inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top"><a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a9c900a7a382cad4a995edbb10b8f179d">GetType</a> () const </td></tr>
<tr class="memitem:ac45cdb13cf013066a3704054c9d06ed0 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#ac45cdb13cf013066a3704054c9d06ed0">SetId</a> (gchar const *Id)</td></tr>
<tr class="memitem:aef94f9435a51669a518b5a713f24e7ca inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">char const * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#aef94f9435a51669a518b5a713f24e7ca">GetId</a> () const </td></tr>
<tr class="memitem:adf610a8402000e9f9ae9ad0135c1d7da inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Object.html">Object</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#adf610a8402000e9f9ae9ad0135c1d7da">GetMolecule</a> () const </td></tr>
<tr class="memitem:adaba7d20336b8036b6bfb7ef3884880a inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Object.html">Object</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#adaba7d20336b8036b6bfb7ef3884880a">GetReaction</a> () const </td></tr>
<tr class="memitem:a841968632d00e5d879694ee84737225b inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Object.html">Object</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a841968632d00e5d879694ee84737225b">GetGroup</a> () const </td></tr>
<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> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a274432165e22fa89a375eded192631db">GetDocument</a> () const </td></tr>
<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> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#ab65facd99621938dfbd6330ccee1e9f7">GetApplication</a> () const </td></tr>
<tr class="memitem:a158be0361aaadca1d03fdb5b5d3089b2 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Object.html">Object</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a158be0361aaadca1d03fdb5b5d3089b2">GetParentOfType</a> (<a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a> Id) const </td></tr>
<tr class="memitem:a026b22b02b09f8f9f535197f2d936c07 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Object.html">Object</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a026b22b02b09f8f9f535197f2d936c07">GetChild</a> (const gchar *Id) const </td></tr>
<tr class="memitem:a5fe8cfbfe83645c292f8895aba4a91d0 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Object.html">Object</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a5fe8cfbfe83645c292f8895aba4a91d0">GetFirstChild</a> (std::map< std::string, <a class="el" href="classgcu_1_1Object.html">Object</a> * >::iterator &i)</td></tr>
<tr class="memitem:a70ff8a33f72e424f3c39b3d0edbe9903 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Object.html">Object</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a70ff8a33f72e424f3c39b3d0edbe9903">GetNextChild</a> (std::map< std::string, <a class="el" href="classgcu_1_1Object.html">Object</a> * >::iterator &i)</td></tr>
<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> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#ab70083d7ebb2cf32180c5383b5bb428c">GetDescendant</a> (const char *Id) const </td></tr>
<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> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#abacb2c2002726a3237ffbd0e50e3df52">GetParent</a> () const </td></tr>
<tr class="memitem:a0ffe1f48151c92f167eeec303277e45c inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void </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>
<tr class="memitem:a7ae5e90dd76580aee332c6ef59e89298 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual bool </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>
<tr class="memitem:af5505430c421604ff7e26e4414197fbc inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual void </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>
<tr class="memitem:a07de41cb137a650b51920d6186fc82d7 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a07de41cb137a650b51920d6186fc82d7">SaveChildren</a> (xmlDocPtr xml, xmlNodePtr node) const </td></tr>
<tr class="memitem:a5f99b290d7e48c38738342dfc984865d inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a5f99b290d7e48c38738342dfc984865d">SaveId</a> (xmlNodePtr node) const </td></tr>
<tr class="memitem:ad533d866f1478a972a1896499e5659a5 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">xmlNodePtr </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#ad533d866f1478a972a1896499e5659a5">GetNodeByProp</a> (xmlNodePtr node, char const *Property, char const *Id)</td></tr>
<tr class="memitem:aa19f11cca83189a955f0a7bf2919562b inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">xmlNodePtr </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#aa19f11cca83189a955f0a7bf2919562b">GetNextNodeByProp</a> (xmlNodePtr node, char const *Property, char const *Id)</td></tr>
<tr class="memitem:a4e8712098d673c958fb0c72488058f80 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">xmlNodePtr </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>
<tr class="memitem:a2dc10bf48d3ebfe86853cace21e9abf2 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">xmlNodePtr </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>
<tr class="memitem:a28f682a2891b17ae57c5f346c95d6f50 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a28f682a2891b17ae57c5f346c95d6f50">HasChildren</a> () const </td></tr>
<tr class="memitem:a5e3d6fbdc8b10a9dbf43de2c052fff05 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">unsigned </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a5e3d6fbdc8b10a9dbf43de2c052fff05">GetChildrenNumber</a> () const </td></tr>
<tr class="memitem:af1da4274cbbf0ca56bf8d380743d49e7 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#af1da4274cbbf0ca56bf8d380743d49e7">Build</a> (std::set< <a class="el" href="classgcu_1_1Object.html">Object</a> * > const &Children) throw (std::invalid_argument)</td></tr>
<tr class="memitem:acf16b429a6875e5620fa8051446ef34c inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void </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>
<tr class="memitem:a8b4da97be50a4ceea941ab8aa8ece825 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a8b4da97be50a4ceea941ab8aa8ece825">Lock</a> (bool state=true)</td></tr>
<tr class="memitem:a4094e3d8cf58a6f9de9cb6c6b6fed8c8 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a4094e3d8cf58a6f9de9cb6c6b6fed8c8">IsLocked</a> ()</td></tr>
<tr class="memitem:a79e87eb91afb57ebf188fdc3753cba7d inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Object.html">Object</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a79e87eb91afb57ebf188fdc3753cba7d">GetFirstLink</a> (std::set< <a class="el" href="classgcu_1_1Object.html">Object</a> * >::iterator &i)</td></tr>
<tr class="memitem:a61b227220c2b831b7196d2bd61201bdc inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classgcu_1_1Object.html">Object</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a61b227220c2b831b7196d2bd61201bdc">GetNextLink</a> (std::set< <a class="el" href="classgcu_1_1Object.html">Object</a> * >::iterator &i)</td></tr>
<tr class="memitem:a0173055f0ba60038d9d913b5f09bb354 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void </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>
<tr class="memitem:a606a257c41cd9cc177c98958fdf2ae3d inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void </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>
<tr class="memitem:a786610ff1992e4aa1acff883b5479ec7 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a786610ff1992e4aa1acff883b5479ec7">OnUnlink</a> (<a class="el" href="classgcu_1_1Object.html">Object</a> *object)</td></tr>
<tr class="memitem:a97106b6ec695ac946d0a1d04293eef79 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a97106b6ec695ac946d0a1d04293eef79">GetPossibleAncestorTypes</a> (std::set< <a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">TypeId</a> > &types) const </td></tr>
<tr class="memitem:a47862fe83b1c3739ee37b8af81550644 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a47862fe83b1c3739ee37b8af81550644">SetProperty</a> (unsigned property, char const *value)</td></tr>
<tr class="memitem:a9f612121600c791abbee16bb539975d7 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual std::string </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a9f612121600c791abbee16bb539975d7">GetProperty</a> (unsigned property) const </td></tr>
<tr class="memitem:a01ea0147ad675e139ddea7aaa2af503c inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a01ea0147ad675e139ddea7aaa2af503c">SetDirty</a> (bool dirty=true)</td></tr>
<tr class="memitem:a373cd8efa4af70cdbc4a77086aee82c7 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">std::string </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a373cd8efa4af70cdbc4a77086aee82c7">Identity</a> ()</td></tr>
<tr class="memitem:aceff810bb8bfad7f9a7152eef3dfe46e inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual char const * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#aceff810bb8bfad7f9a7152eef3dfe46e">HasPropertiesDialog</a> () const </td></tr>
<tr class="memitem:a8f3da29ebe1fcc1534ac65b724f3582f inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a8f3da29ebe1fcc1534ac65b724f3582f">CanSelect</a> () const </td></tr>
<tr class="memitem:a67e3c8ee2104cd937aea48dabde7d319 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">virtual void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a67e3c8ee2104cd937aea48dabde7d319">NotifyEmpty</a> ()</td></tr>
<tr class="memitem:a45b59346e78b7a9927d379bb65df1710 inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a45b59346e78b7a9927d379bb65df1710">ShowPropertiesDialog</a> ()</td></tr>
<tr class="memitem:a71e2333cf4d47abdd272a8709361829f inherit pub_methods_classgcu_1_1Object"><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a71e2333cf4d47abdd272a8709361829f">GetDirty</a> (void) const </td></tr>
</table><table class="memberdecls">
<tr class="heading"><td colspan="2"><h2><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="-"/> 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> * </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 &formula, bool add_pseudo=true)</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="-"/> 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> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Object.html#a98a9025b609f6ba46ab3b273792ee51e">BuildPropertiesDialog</a> ()</td></tr>
<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="-"/> 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< <a class="el" href="classgcu_1_1Cycle.html">Cycle</a> * > </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#a936ef484763b9a9ace3ced4a847eb251">m_Cycles</a></td></tr>
<tr class="memitem:aa9d30f8cfd6f87fdd84fd07aef21f4b0 inherit pro_attribs_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">std::list< <a class="el" href="classgcu_1_1Chain.html">Chain</a> * > </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#aa9d30f8cfd6f87fdd84fd07aef21f4b0">m_Chains</a></td></tr>
<tr class="memitem:adcad89ca2f5c358068b466a99ce9a7cd inherit pro_attribs_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">std::list< <a class="el" href="classgcu_1_1Atom.html">Atom</a> * > </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcu_1_1Molecule.html#adcad89ca2f5c358068b466a99ce9a7cd">m_Atoms</a></td></tr>
<tr class="memitem:ab939115e2e636a22de80176dbed6811c inherit pro_attribs_classgcu_1_1Molecule"><td class="memItemLeft" align="right" valign="top">std::list< <a class="el" href="classgcu_1_1Bond.html">Bond</a> * > </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>Detailed Description</h2>
<div class="textblock"><p>GChemPaint molecule class. </p>
<p>Definition at line <a class="el" href="gcp_2molecule_8h_source.html#l00045">45</a> of file <a class="el" href="gcp_2molecule_8h_source.html">gcp/molecule.h</a>.</p>
</div><h2>Constructor & Destructor Documentation</h2>
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<td>(</td>
<td class="paramtype"><a class="el" href="namespacegcu.html#a4a6abffbefdd6abf047dca4e63b0bac5">gcu::TypeId</a> </td>
<td class="paramname"><em>Type</em> = <code>gcu::MoleculeType</code></td><td>)</td>
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<p>The default constructor. Builds a new empty molecule. </p>
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<td class="memname">gcp::Molecule::Molecule </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classgcp_1_1Atom.html">Atom</a> * </td>
<td class="paramname"><em>pAtom</em></td><td>)</td>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">pAtom</td><td>an atom.</td></tr>
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<p>Constructs a new molecule containing <em>pAtom</em> and all atoms which might be bonded to it, and the corresponding bonds. </p>
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<td class="memname">virtual gcp::Molecule::~Molecule </td>
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<p>The destructor. </p>
<p>Reimplemented from <a class="el" href="classgcugtk_1_1Molecule.html#a17187be56d3a2e96c9611c594f4c16a2">gcugtk::Molecule</a>.</p>
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<h2>Member Function Documentation</h2>
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<td class="memname">void gcp::Molecule::AddAtom </td>
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<td class="paramname"><em>pAtom</em></td><td>)</td>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">pAtom</td><td>an atom.</td></tr>
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<p>Adds an atom to the molecule. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Molecule.html#a2f277cc2b9f40b2ece88df56c1fe5c95">gcu::Molecule</a>.</p>
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<td class="memname">void gcp::Molecule::AddBond </td>
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<td class="paramname"><em>pBond</em></td><td>)</td>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">pBond</td><td>a bond.</td></tr>
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<p>Adds a bond to the molecule. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Molecule.html#a30a68fe89c3c1f81497ec1498acc1012">gcu::Molecule</a>.</p>
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<td class="memname">void gcp::Molecule::AddChild </td>
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<td class="paramname"><em>object</em></td><td>)</td>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">object</td><td>the object to add to the molecule.</td></tr>
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<p>Adds an object (atom, bond, or fragment) to the molecule. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Molecule.html#ab9ec078566194173ab67d60074b6b245">gcu::Molecule</a>.</p>
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<td class="memname">void gcp::Molecule::AddChiralAtom </td>
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<td class="paramtype"><a class="el" href="classgcp_1_1Atom.html">Atom</a> * </td>
<td class="paramname"><em>atom</em></td><td>)</td>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">atom</td><td>a chiral atom</td></tr>
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<p>Adds <em>atom</em> to the list of chiral atoms. </p>
<p>Definition at line <a class="el" href="gcp_2molecule_8h_source.html#l00214">214</a> of file <a class="el" href="gcp_2molecule_8h_source.html">gcp/molecule.h</a>.</p>
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<td class="memname">void gcp::Molecule::AddFragment </td>
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<td class="paramname"><em>pFragment</em></td><td>)</td>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">pFragment</td><td>an atoms group.</td></tr>
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<p>Adds a fragment to the molecule. </p>
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<td class="paramname"><em>atom</em></td><td>)</td>
<td> const</td>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">atom</td><td>an atom </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>true if <em>atom</em> is a chirality center. </dd></dl>
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<td class="paramname"><em>UIManager</em>, </td>
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<td class="paramtype">double </td>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">UIManager</td><td>the <a class="el" href="classgcu_1_1UIManager.html" title="base class for a user interface manager">gcu::UIManager</a> to populate. </td></tr>
<tr><td class="paramname">object</td><td>the Object on which occured the mouse click. </td></tr>
<tr><td class="paramname">x</td><td>x coordinate of the mouse click. </td></tr>
<tr><td class="paramname">y</td><td>y coordinate of the mouse click.</td></tr>
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<p>This method is called to build the contextual menu for the molecule. </p>
<dl class="section return"><dt>Returns</dt><dd>true if something is added to the UIManager, false otherwise. </dd></dl>
<p>Reimplemented from <a class="el" href="classgcu_1_1Object.html#acc55e92f84843058139d3a729aa6afcb">gcu::Object</a>.</p>
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<td class="memname">void gcp::Molecule::CheckCrossings </td>
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<td class="paramtype"><a class="el" href="classgcp_1_1Bond.html">Bond</a> * </td>
<td class="paramname"><em>pBond</em></td><td>)</td>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">pBond</td><td>a bond in the molecule.</td></tr>
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<p>Checks if any other bond in the molecule crosses <em>pBond</em>, and notify both bonds that they are crossing. </p>
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<p>Removes all children from the molecule, resulting in a empty molecule. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Molecule.html#a7b1eb4f9ab32d992e6185f7e395025f1">gcu::Molecule</a>.</p>
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<dl class="section return"><dt>Returns</dt><dd>the id string of the child used for alignment if any, or an empty string. </dd></dl>
<p>Definition at line <a class="el" href="gcp_2molecule_8h_source.html#l00176">176</a> of file <a class="el" href="gcp_2molecule_8h_source.html">gcp/molecule.h</a>.</p>
<p>References <a class="el" href="object_8h_source.html#l00185">gcu::Object::GetId()</a>.</p>
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<td class="memname"><a class="el" href="classgcu_1_1Object.html#a6f15e766fdfb066008bd4b0779574549">Object</a>* gcp::Molecule::GetAtomAt </td>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">x</td><td>the x coordinate </td></tr>
<tr><td class="paramname">y</td><td>the y coordinate </td></tr>
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<dl class="section return"><dt>Returns</dt><dd>a pointer to n atom at or near position defined by the coordinates passed as parameters or NULL if none is found in the molecule. </dd></dl>
<p>Reimplemented from <a class="el" href="classgcu_1_1Object.html#aa47c38061c6a2e51947d89c86fbae630">gcu::Object</a>.</p>
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<dl class="section return"><dt>Returns</dt><dd>the number of atoms in the molecule. Atoms groups are counted for one only, whatever their real atomic composition. </dd></dl>
<p>Reimplemented from <a class="el" href="classgcu_1_1Molecule.html#a6ad0da2f365b11e8693fae4d24b45030">gcu::Molecule</a>.</p>
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<dl class="section return"><dt>Returns</dt><dd>the mean of the bond lengths for the molecule. </dd></dl>
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<dl class="section return"><dt>Returns</dt><dd>the raw formula as a string. Molecules with fragments are not currently supported. </dd></dl>
<p>Reimplemented from <a class="el" href="classgcu_1_1Molecule.html#aa4e0698faf9877b572f621492c82fac0">gcu::Molecule</a>.</p>
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<p>Used to retrieve the y coordinate for alignment. </p>
<dl class="section return"><dt>Returns</dt><dd>y coordinate used for the molecule alignment. </dd></dl>
<p>Reimplemented from <a class="el" href="classgcu_1_1Object.html#aedeec6e6b66e1a35e6d2f3ef75c94a09">gcu::Object</a>.</p>
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<dl class="params"><dt>Parameters</dt><dd>
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<p>Used to load a molecule in memory. The Mlecule instance must already exist. </p>
<dl class="section return"><dt>Returns</dt><dd>true on succes, false otherwise. </dd></dl>
<p>Reimplemented from <a class="el" href="classgcu_1_1Object.html#aa3ee33c25154d8e7bbe1e39de970c489">gcu::Object</a>.</p>
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<td class="memname">bool gcp::Molecule::Merge </td>
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<td class="paramtype"><a class="el" href="classgcp_1_1Molecule.html">Molecule</a> * </td>
<td class="paramname"><em>pMolecule</em>, </td>
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<td class="paramtype">bool </td>
<td class="paramname"><em>RemoveDuplicates</em> = <code>false</code> </td>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">pMolecule</td><td>a molecule. </td></tr>
<tr><td class="paramname">RemoveDuplicates</td><td>whether duplicate atoms should be unififed or not.</td></tr>
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<p>Adds all children from <em>pMolecule</em> in this instance, and removes one of the atoms for each pair of duplicates (atoms with same atomic number and position) if <em>RemoveDuplicates</em> is true. This might fail when it would end with hypervalent atoms. On success <em>pMolecule</em> is deleted. </p>
<dl class="section return"><dt>Returns</dt><dd>true on success, false otherwise. </dd></dl>
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<td class="memname">void gcp::Molecule::OnLoaded </td>
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<p>Updates all cycles after loading. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Object.html#af972c30c9990923c34c54754654c3e72">gcu::Object</a>.</p>
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<td class="memname">bool gcp::Molecule::OnSignal </td>
<td>(</td>
<td class="paramtype"><a class="el" href="namespacegcu.html#af13348b065987fa4ca74ca0fb1ffa48e">gcu::SignalId</a> </td>
<td class="paramname"><em>Signal</em>, </td>
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<td class="paramtype"><a class="el" href="classgcu_1_1Object.html">gcu::Object</a> * </td>
<td class="paramname"><em>Child</em> </td>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">Signal</td><td>the appropriate SignalId </td></tr>
<tr><td class="paramname">Child</td><td>the child which emitted the signal or NULL</td></tr>
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<p>Signals the molecule that at least one of its children changed.</p>
<dl class="section return"><dt>Returns</dt><dd>true to propagate the signal to the parent. </dd></dl>
<p>Reimplemented from <a class="el" href="classgcu_1_1Object.html#a1ad183ecf7e5b5c42db100da03221e46">gcu::Object</a>.</p>
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<td class="memname">void gcp::Molecule::OpenCalc </td>
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<p>Opens GChemCalc with the formula for the molecule. Molecules with fragments are not currently supported. </p>
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<td class="memname">void gcp::Molecule::Remove </td>
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<td class="paramname"><em>pObject</em></td><td>)</td>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">pObject</td><td>an atom, a bond, or a fragment in the molecule.</td></tr>
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<p>Removes an atom, a bond, or a fragment from a molecule. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Molecule.html#aff43b05c6f575fefda0c13a181181379">gcu::Molecule</a>.</p>
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<td class="memname">xmlNodePtr gcp::Molecule::Save </td>
<td>(</td>
<td class="paramtype">xmlDocPtr </td>
<td class="paramname"><em>xml</em></td><td>)</td>
<td> const</td>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">xml</td><td>the xmlDoc used to save the document.</td></tr>
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<p>Used to save the molecule to the xmlDoc. </p>
<dl class="section return"><dt>Returns</dt><dd>the xmlNode containing the serialized molecule. </dd></dl>
<p>Reimplemented from <a class="el" href="classgcu_1_1Object.html#aad462441e79fbd93e158f8294a198d11">gcu::Object</a>.</p>
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<td class="memname">void gcp::Molecule::SelectAlignmentItem </td>
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<td class="paramname"><em>child</em></td><td>)</td>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">child</td><td>the child used for alignment.</td></tr>
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<p>Selects the child used for alignment, which might be an atom or group of atoms, or a bond. For bonds, the center of the bonds is used, a while for the others a call to their <a class="el" href="classgcu_1_1Object.html#aedeec6e6b66e1a35e6d2f3ef75c94a09">gcu::Object::GetYAlign()</a> method will be used. </p>
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<td class="memname">void gcp::Molecule::Transform2D </td>
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<td class="paramtype"><a class="el" href="classgcu_1_1Matrix2D.html">gcu::Matrix2D</a> & </td>
<td class="paramname"><em>m</em>, </td>
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<td class="paramtype">double </td>
<td class="paramname"><em>x</em>, </td>
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<td class="paramtype">double </td>
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<dl class="params"><dt>Parameters</dt><dd>
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<tr><td class="paramname">m</td><td>the Matrix2D of the transformation. </td></tr>
<tr><td class="paramname">x</td><td>the x component of the center of the transformation. </td></tr>
<tr><td class="paramname">y</td><td>the y component of the center of the transformation.</td></tr>
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<p>Used to move and/or transform the molecule taking care of hydrogen atoms positions around heteroatoms. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Object.html#a69ad6edf7d50950b036f09d9ff86f849">gcu::Object</a>.</p>
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<hr/>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="gcp_2molecule_8h_source.html">gcp/molecule.h</a></li>
</ul>
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