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<div class="title">bond.h File Reference</div> </div>
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<div class="textblock"><code>#include <openbabel/babelconfig.h></code><br/>
<code>#include <<a class="el" href="base_8h_source.shtml">openbabel/base.h</a>></code><br/>
<code>#include <<a class="el" href="atom_8h_source.shtml">openbabel/atom.h</a>></code><br/>
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This graph shows which files directly or indirectly include this file:</div>
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<p><a href="bond_8h_source.shtml">Go to the source code of this file.</a></p>
<table class="memberdecls">
<tr><td colspan="2"><h2><a name="nested-classes"></a>
Classes</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBBond.shtml">OBBond</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Bond class. <a href="classOpenBabel_1_1OBBond.shtml#details">More...</a><br/></td></tr>
<tr><td colspan="2"><h2><a name="namespaces"></a>
Namespaces</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">namespace  </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml">OpenBabel</a></td></tr>
<tr><td colspan="2"><h2><a name="define-members"></a>
Defines</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="bond_8h.shtml#a90183171d38e32f07e97bffb7836f9fd">OB_AROMATIC_BOND</a>   (1<<1)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="bond_8h.shtml#a71faadca5c5e100b081f5a563c22e9ee">OB_WEDGE_BOND</a>   (1<<2)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="bond_8h.shtml#a14b10c08a25058d1d4a98f8573195119">OB_HASH_BOND</a>   (1<<3)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="bond_8h.shtml#a2f74970f7126e2bc1e9a4e1d8ed1af26">OB_RING_BOND</a>   (1<<4)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="bond_8h.shtml#a4acf405087f46d03ebc4581cbce02f3b">OB_TORUP_BOND</a>   (1<<5)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="bond_8h.shtml#a7c5124279ed6a19b93840ab3038ef2c0">OB_TORDOWN_BOND</a>   (1<<6)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="bond_8h.shtml#a2cbf156fa54b94fb630c4915ab06cbb1">OB_KSINGLE_BOND</a>   (1<<7)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="bond_8h.shtml#af2291cb768c88e059cb8ee24d3f66f64">OB_KDOUBLE_BOND</a>   (1<<8)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="bond_8h.shtml#ae702c1e19159f86ccd298f273ac94cd6">OB_KTRIPLE_BOND</a>   (1<<9)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="bond_8h.shtml#a19b6306ab83f788b1fb60f8816b07e9c">OB_CLOSURE_BOND</a>   (1<<10)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="bond_8h.shtml#a40ac5b89beb0ea8297e93ee26e7eaf7b">OB_WEDGE_OR_HASH_BOND</a>   (1<<11)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="bond_8h.shtml#a7d2254db1e5e6904e5490bfc80a281ea">OB_CIS_OR_TRANS_BOND</a>   (1<<12)</td></tr>
<tr><td colspan="2"><h2><a name="typedef-members"></a>
Typedefs</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">typedef OBBond </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#ad30fc0fda0a0c8a6f7d22b8202af0dce">OBEdgeBase</a></td></tr>
</table>
<hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
<div class="textblock"><p>Handle bonds. </p>
</div><hr/><h2>Define Documentation</h2>
<a class="anchor" id="a90183171d38e32f07e97bffb7836f9fd"></a><!-- doxytag: member="bond.h::OB_AROMATIC_BOND" ref="a90183171d38e32f07e97bffb7836f9fd" args="" -->
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<td class="memname">#define OB_AROMATIC_BOND   (1<<1)</td>
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</div>
<div class="memdoc">
<p>An aromatic bond (regardless of bond order) </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBBond.shtml#a4ef863ca7ed29e266960966a66dc8fb8">OBBond::IsAromatic()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#a66926118e966d8cdb17a6ae23f2e89f4">OBBond::IsDouble()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#aa7c514e18d5bbe2873dc223a02df526e">OBBond::IsSingle()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#ae763d876fdca6bb00dd7d97574c9c1d0">OBBond::IsTriple()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#a3d29498c15007d9b6729e26784f23a5b">OBBond::SetAromatic()</a>, and <a class="el" href="classOpenBabel_1_1OBBond.shtml#a2fcf3bf429f36281a43c879e40e75f34">OBBond::UnsetAromatic()</a>.</p>
</div>
</div>
<a class="anchor" id="a71faadca5c5e100b081f5a563c22e9ee"></a><!-- doxytag: member="bond.h::OB_WEDGE_BOND" ref="a71faadca5c5e100b081f5a563c22e9ee" args="" -->
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<td class="memname">#define OB_WEDGE_BOND   (1<<2)</td>
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</div>
<div class="memdoc">
<p>A solid black wedge in 2D representations -- i.e., "up" from the 2D plane. </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBMol.shtml#ad3bab31bf64ff6cb18f6ee259b3b8c11">OBMol::AddHydrogens()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#a70910881ff95404e96c9b40d33e0db76">OBBond::IsWedge()</a>, and <a class="el" href="classOpenBabel_1_1OBBond.shtml#a8425a34105ee2f2e152da12ebca9960e">OBBond::UnsetWedge()</a>.</p>
</div>
</div>
<a class="anchor" id="a14b10c08a25058d1d4a98f8573195119"></a><!-- doxytag: member="bond.h::OB_HASH_BOND" ref="a14b10c08a25058d1d4a98f8573195119" args="" -->
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<td class="memname">#define OB_HASH_BOND   (1<<3)</td>
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<div class="memdoc">
<p>A dashed "hash" bond in 2D representations -- i.e., "down" from the 2D plane. </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBMol.shtml#ad3bab31bf64ff6cb18f6ee259b3b8c11">OBMol::AddHydrogens()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#ab5e8e371f621ba037c843f6da7fe6bdb">OBBond::IsHash()</a>, and <a class="el" href="classOpenBabel_1_1OBBond.shtml#a934251078b7907fd8cd8573c40fdea58">OBBond::UnsetHash()</a>.</p>
</div>
</div>
<a class="anchor" id="a2f74970f7126e2bc1e9a4e1d8ed1af26"></a><!-- doxytag: member="bond.h::OB_RING_BOND" ref="a2f74970f7126e2bc1e9a4e1d8ed1af26" args="" -->
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<td class="memname">#define OB_RING_BOND   (1<<4)</td>
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<div class="memdoc">
<p>A bond in a ring. </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBBond.shtml#aa17842bd610dc8b2ede2fe324738fe5b">OBBond::IsInRing()</a>, and <a class="el" href="classOpenBabel_1_1OBBond.shtml#aacde511d3c9a744b44c88958bb86eb68">OBBond::SetInRing()</a>.</p>
</div>
</div>
<a class="anchor" id="a4acf405087f46d03ebc4581cbce02f3b"></a><!-- doxytag: member="bond.h::OB_TORUP_BOND" ref="a4acf405087f46d03ebc4581cbce02f3b" args="" -->
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<td class="memname">#define OB_TORUP_BOND   (1<<5)</td>
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<p>The "upper" bond in a double bond cis/trans isomer (i.e., "\" in SMILES) <-- this was wrong (/), obsolete anyway. </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBBond.shtml#a1733c541422f1bec76b19733d5f6f046">OBBond::IsUp()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#a7690859a81831984dbc0fa73313d44b3">OBBond::SetDown()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#a1b06560e0e01a806b92c2386220d0b57">OBBond::SetUp()</a>, and <a class="el" href="classOpenBabel_1_1OBBond.shtml#a88d9f308b5a9d49e98da1c6bd195358f">OBBond::UnsetUp()</a>.</p>
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<a class="anchor" id="a7c5124279ed6a19b93840ab3038ef2c0"></a><!-- doxytag: member="bond.h::OB_TORDOWN_BOND" ref="a7c5124279ed6a19b93840ab3038ef2c0" args="" -->
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<td class="memname">#define OB_TORDOWN_BOND   (1<<6)</td>
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<p>The "down" bond in a double bond cis/trans isomer (i.e., "/" in SMILES) <-- same. </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBBond.shtml#a4ff4d4e51ec0a91f7b8174265de188e7">OBBond::IsDown()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#a7690859a81831984dbc0fa73313d44b3">OBBond::SetDown()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#a1b06560e0e01a806b92c2386220d0b57">OBBond::SetUp()</a>, and <a class="el" href="classOpenBabel_1_1OBBond.shtml#a561d657e1cc83679879b2b8f662b9205">OBBond::UnsetDown()</a>.</p>
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<a class="anchor" id="a2cbf156fa54b94fb630c4915ab06cbb1"></a><!-- doxytag: member="bond.h::OB_KSINGLE_BOND" ref="a2cbf156fa54b94fb630c4915ab06cbb1" args="" -->
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<td class="memname">#define OB_KSINGLE_BOND   (1<<7)</td>
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<p>A Kekule single bond. </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBBond.shtml#a3dcf63c2cdd597361fe1f140501fb4e7">OBBond::IsKSingle()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#afb89a19ab65bff6626af0eccfb83af07">OBBond::SetBondOrder()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#a2372682111abb0a7d49ba2f6caa7f51f">OBBond::SetKDouble()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#acb95632fbaba13a5aa138725a20f2c0b">OBBond::SetKSingle()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#a068e086977f8e15b07d3c3d32f622ead">OBBond::SetKTriple()</a>, and <a class="el" href="classOpenBabel_1_1OBBond.shtml#a512e7b122631a29f1ef8c679704632cd">OBBond::UnsetKekule()</a>.</p>
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<a class="anchor" id="af2291cb768c88e059cb8ee24d3f66f64"></a><!-- doxytag: member="bond.h::OB_KDOUBLE_BOND" ref="af2291cb768c88e059cb8ee24d3f66f64" args="" -->
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<td class="memname">#define OB_KDOUBLE_BOND   (1<<8)</td>
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<p>A Kekule double bond. </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBBond.shtml#a1293d36d6ef65f89892ed57092aeb157">OBBond::IsKDouble()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#afb89a19ab65bff6626af0eccfb83af07">OBBond::SetBondOrder()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#a2372682111abb0a7d49ba2f6caa7f51f">OBBond::SetKDouble()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#acb95632fbaba13a5aa138725a20f2c0b">OBBond::SetKSingle()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#a068e086977f8e15b07d3c3d32f622ead">OBBond::SetKTriple()</a>, and <a class="el" href="classOpenBabel_1_1OBBond.shtml#a512e7b122631a29f1ef8c679704632cd">OBBond::UnsetKekule()</a>.</p>
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<a class="anchor" id="ae702c1e19159f86ccd298f273ac94cd6"></a><!-- doxytag: member="bond.h::OB_KTRIPLE_BOND" ref="ae702c1e19159f86ccd298f273ac94cd6" args="" -->
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<td class="memname">#define OB_KTRIPLE_BOND   (1<<9)</td>
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<p>A Kekule triple bond. </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBBond.shtml#ad2ccb49198384c9d22b47ac7d0c4de90">OBBond::IsKTriple()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#afb89a19ab65bff6626af0eccfb83af07">OBBond::SetBondOrder()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#a2372682111abb0a7d49ba2f6caa7f51f">OBBond::SetKDouble()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#acb95632fbaba13a5aa138725a20f2c0b">OBBond::SetKSingle()</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml#a068e086977f8e15b07d3c3d32f622ead">OBBond::SetKTriple()</a>, and <a class="el" href="classOpenBabel_1_1OBBond.shtml#a512e7b122631a29f1ef8c679704632cd">OBBond::UnsetKekule()</a>.</p>
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<a class="anchor" id="a19b6306ab83f788b1fb60f8816b07e9c"></a><!-- doxytag: member="bond.h::OB_CLOSURE_BOND" ref="a19b6306ab83f788b1fb60f8816b07e9c" args="" -->
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<td class="memname">#define OB_CLOSURE_BOND   (1<<10)</td>
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<p>A bond which "closes" a ring when walking the molecular graph. </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBBond.shtml#ab91f9d866c216bcb3ffc5aa0774b5177">OBBond::IsClosure()</a>, and <a class="el" href="classOpenBabel_1_1OBBond.shtml#ab499793fc98aadbaa192756b8327016d">OBBond::SetClosure()</a>.</p>
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<a class="anchor" id="a40ac5b89beb0ea8297e93ee26e7eaf7b"></a><!-- doxytag: member="bond.h::OB_WEDGE_OR_HASH_BOND" ref="a40ac5b89beb0ea8297e93ee26e7eaf7b" args="" -->
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<td class="memname">#define OB_WEDGE_OR_HASH_BOND   (1<<11)</td>
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<a class="anchor" id="a7d2254db1e5e6904e5490bfc80a281ea"></a><!-- doxytag: member="bond.h::OB_CIS_OR_TRANS_BOND" ref="a7d2254db1e5e6904e5490bfc80a281ea" args="" -->
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<td class="memname">#define OB_CIS_OR_TRANS_BOND   (1<<12)</td>
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