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<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
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<li class="navelem"><a class="el" href="namespaceOpenBabel.shtml">OpenBabel</a> </li>
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<a href="#pub-methods">Public Member Functions</a> |
<a href="#pub-static-methods">Static Public Member Functions</a> </div>
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<div class="title">OBBuilder Class Reference</div> </div>
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<!-- doxytag: class="OpenBabel::OBBuilder" -->
<p><code>#include <<a class="el" href="builder_8h_source.shtml">openbabel/builder.h</a>></code></p>
<p><a href="classOpenBabel_1_1OBBuilder-members.shtml">List of all members.</a></p>
<table class="memberdecls">
<tr><td colspan="2"><h2><a name="pub-methods"></a>
Public Member Functions</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBBuilder.shtml#a7bb41c313c47405a2040198e671caad5">OBBuilder</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBBuilder.shtml#afe0a7e760f4908db34dfb69dc65d3bba">LoadFragments</a> ()</td></tr>
<tr><td colspan="2"><div class="groupHeader">Call the build algorithm</div></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBBuilder.shtml#af20dd57788f4898cd7377dffe63986fc">Build</a> (<a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> &mol)</td></tr>
<tr><td colspan="2"><div class="groupHeader">Setup build parameters</div></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBBuilder.shtml#acf9a71f4ec162379069afdcae3088beb">SetKeepRings</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBBuilder.shtml#aa981684e16a4cc7f7acf0cb9df1ce55b">UnsetKeepRings</a> ()</td></tr>
<tr><td colspan="2"><h2><a name="pub-static-methods"></a>
Static Public Member Functions</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static <a class="el" href="classOpenBabel_1_1vector3.shtml">vector3</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBBuilder.shtml#a103258e3f686fac67714a2a847bd7466">GetNewBondVector</a> (<a class="el" href="classOpenBabel_1_1OBAtom.shtml">OBAtom</a> *atom)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static <a class="el" href="classOpenBabel_1_1vector3.shtml">vector3</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBBuilder.shtml#ad0cefa50ad126c06c03bad33175ce2b4">GetNewBondVector</a> (<a class="el" href="classOpenBabel_1_1OBAtom.shtml">OBAtom</a> *atom, double length)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBBuilder.shtml#abe40cdbb1abc8939273d9cde6b7b638a">Connect</a> (<a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> &mol, int a, int b, <a class="el" href="classOpenBabel_1_1vector3.shtml">vector3</a> &newpos, int bondOrder=1)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBBuilder.shtml#af123db2b6c32f7d210f4455e7fb8cccc">Connect</a> (<a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> &mol, int a, int b, int bondOrder=1)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBBuilder.shtml#ab97bb4c77a46265bdedaead1a6463ca7">Swap</a> (<a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> &mol, int a, int b, int c, int d)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static void </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBBuilder.shtml#a6898b04c792072e4ace54885e9ff7b10">CorrectStereoBonds</a> (<a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> &mol)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static void </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBBuilder.shtml#a568e42fdfa07962a14761bb9875ee138">CorrectStereoAtoms</a> (<a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> &mol)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBBuilder.shtml#a7baa4d72adf170defdf09a225b3edf57">IsSpiroAtom</a> (unsigned long atomId, <a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> &mol)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static <a class="el" href="classOpenBabel_1_1OBBitVec.shtml">OBBitVec</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBBuilder.shtml#a3ab05c6d2aa0e1597398b85b825b57b1">GetFragment</a> (<a class="el" href="classOpenBabel_1_1OBAtom.shtml">OBAtom</a> *atom)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static void </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBBuilder.shtml#a26e58d067cc3985a84fbf5cfa031947d">AddNbrs</a> (<a class="el" href="classOpenBabel_1_1OBBitVec.shtml">OBBitVec</a> &fragment, <a class="el" href="classOpenBabel_1_1OBAtom.shtml">OBAtom</a> *atom)</td></tr>
</table>
<hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
<div class="textblock"><p>Class to build 3D structures. </p>
<p>Class for 3D structure generation.</p>
<dl class="since"><dt><b>Since:</b></dt><dd>version 2.2</dd></dl>
<p>The <a class="el" href="classOpenBabel_1_1OBBuilder.shtml" title="Class to build 3D structures.">OBBuilder</a> class is used for generating 3D structures.</p>
<p>Below is and example which explain the basics.</p>
<div class="fragment"><pre class="fragment"> <span class="comment">//</span>
<span class="comment">// code to read molecule from smiles goes here...</span>
<span class="comment">//</span>
<a class="code" href="classOpenBabel_1_1OBBuilder.shtml#a7bb41c313c47405a2040198e671caad5">OBBuilder</a> builder;
builder.Build(mol);
<span class="comment">//</span>
<span class="comment">// code to write molecule to 3D file format goes here...</span>
<span class="comment">//</span>
</pre></div> </div><hr/><h2>Constructor & Destructor Documentation</h2>
<a class="anchor" id="a7bb41c313c47405a2040198e671caad5"></a><!-- doxytag: member="OpenBabel::OBBuilder::OBBuilder" ref="a7bb41c313c47405a2040198e671caad5" args="()" -->
<div class="memitem">
<div class="memproto">
<table class="memname">
<tr>
<td class="memname"><a class="el" href="classOpenBabel_1_1OBBuilder.shtml">OBBuilder</a> </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td><code> [inline]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
</div>
</div>
<hr/><h2>Member Function Documentation</h2>
<a class="anchor" id="af20dd57788f4898cd7377dffe63986fc"></a><!-- doxytag: member="OpenBabel::OBBuilder::Build" ref="af20dd57788f4898cd7377dffe63986fc" args="(OBMol &mol)" -->
<div class="memitem">
<div class="memproto">
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<td class="memname">bool Build </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> & </td>
<td class="paramname"><em>mol</em></td><td>)</td>
<td></td>
</tr>
</table>
</div>
<div class="memdoc">
<p>The mol object contains all connectivity information (atomic numbers, bonds, bond orders, ..) but no 3D coordinates. Build generates these coordinates and assigns them. </p>
<dl><dt><b>Parameters:</b></dt><dd>
<table class="params">
<tr><td class="paramname">mol</td><td>Molecule with the connectivity (from smiles for example). The coordinates are also changed in this mol. </td></tr>
</table>
</dd>
</dl>
</div>
</div>
<a class="anchor" id="acf9a71f4ec162379069afdcae3088beb"></a><!-- doxytag: member="OpenBabel::OBBuilder::SetKeepRings" ref="acf9a71f4ec162379069afdcae3088beb" args="()" -->
<div class="memitem">
<div class="memproto">
<table class="memname">
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<td class="memname">void SetKeepRings </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td><code> [inline]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
<p>If the molecule already contains 3D coordinates, if you set KeepRings to true it will use retain the 3D coordinates of the rings. By default KeepRings is false, and ring conformations are obtained by lookup in a library of ring conformers. However, since the ring conformer library is not exhaustive, if the ring system is not found in the library, the resulting 3D structure can be poor, and require geometry optimisation before it is reasonable. If your starting point is a 3D structure, you can set KeepRings to true, and the conformation will be taken from the input. The remaining (acyclic) bonds will still all be built by the builder. </p>
</div>
</div>
<a class="anchor" id="aa981684e16a4cc7f7acf0cb9df1ce55b"></a><!-- doxytag: member="OpenBabel::OBBuilder::UnsetKeepRings" ref="aa981684e16a4cc7f7acf0cb9df1ce55b" args="()" -->
<div class="memitem">
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<td class="memname">void UnsetKeepRings </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td><code> [inline]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
</div>
</div>
<a class="anchor" id="afe0a7e760f4908db34dfb69dc65d3bba"></a><!-- doxytag: member="OpenBabel::OBBuilder::LoadFragments" ref="afe0a7e760f4908db34dfb69dc65d3bba" args="()" -->
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<td class="memname">void LoadFragments </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td></td>
</tr>
</table>
</div>
<div class="memdoc">
<p>Load fragment info from file, if is it has not already been done. </p>
</div>
</div>
<a class="anchor" id="a103258e3f686fac67714a2a847bd7466"></a><!-- doxytag: member="OpenBabel::OBBuilder::GetNewBondVector" ref="a103258e3f686fac67714a2a847bd7466" args="(OBAtom *atom)" -->
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<td class="memname"><a class="el" href="classOpenBabel_1_1vector3.shtml">vector3</a> GetNewBondVector </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBAtom.shtml">OBAtom</a> * </td>
<td class="paramname"><em>atom</em></td><td>)</td>
<td><code> [static]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
<p>Get the position for a new neighbour on atom. </p>
<dl><dt><b>Parameters:</b></dt><dd>
<table class="params">
<tr><td class="paramname">atom</td><td>Atom for which we want a new neighbour location. </td></tr>
</table>
</dd>
</dl>
<dl class="return"><dt><b>Returns:</b></dt><dd>The position for the new atom. </dd></dl>
</div>
</div>
<a class="anchor" id="ad0cefa50ad126c06c03bad33175ce2b4"></a><!-- doxytag: member="OpenBabel::OBBuilder::GetNewBondVector" ref="ad0cefa50ad126c06c03bad33175ce2b4" args="(OBAtom *atom, double length)" -->
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<td class="memname"><a class="el" href="classOpenBabel_1_1vector3.shtml">vector3</a> GetNewBondVector </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBAtom.shtml">OBAtom</a> * </td>
<td class="paramname"><em>atom</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">double </td>
<td class="paramname"><em>length</em> </td>
</tr>
<tr>
<td></td>
<td>)</td>
<td></td><td><code> [static]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
</div>
</div>
<a class="anchor" id="abe40cdbb1abc8939273d9cde6b7b638a"></a><!-- doxytag: member="OpenBabel::OBBuilder::Connect" ref="abe40cdbb1abc8939273d9cde6b7b638a" args="(OBMol &mol, int a, int b, vector3 &newpos, int bondOrder=1)" -->
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<td class="memname">bool Connect </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> & </td>
<td class="paramname"><em>mol</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">int </td>
<td class="paramname"><em>a</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">int </td>
<td class="paramname"><em>b</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1vector3.shtml">vector3</a> & </td>
<td class="paramname"><em>newpos</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">int </td>
<td class="paramname"><em>bondOrder</em> = <code>1</code> </td>
</tr>
<tr>
<td></td>
<td>)</td>
<td></td><td><code> [static]</code></td>
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<div class="memdoc">
<p>Atoms a and b are part of two fragments that are not connected in mol. Connect will translate and rotate the fragment that contains b so that a and b are seperated by a bond. This bond is also added. </p>
<dl><dt><b>Parameters:</b></dt><dd>
<table class="params">
<tr><td class="paramname">mol</td><td>The molecule to be modified </td></tr>
<tr><td class="paramname">a</td><td>Index for atom in fragment that should not be rotated. </td></tr>
<tr><td class="paramname">b</td><td>Index for atom in fragment that should be rotated. </td></tr>
<tr><td class="paramname">newpos</td><td>Direction for new bond between a and b </td></tr>
<tr><td class="paramname">bondOrder</td><td>Bond order of the new bond between a and b. </td></tr>
</table>
</dd>
</dl>
<dl class="return"><dt><b>Returns:</b></dt><dd>true if succesful or fails when failed (most likely cause for failing: a and b are in the same fragment, they are connected) </dd></dl>
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</div>
<a class="anchor" id="af123db2b6c32f7d210f4455e7fb8cccc"></a><!-- doxytag: member="OpenBabel::OBBuilder::Connect" ref="af123db2b6c32f7d210f4455e7fb8cccc" args="(OBMol &mol, int a, int b, int bondOrder=1)" -->
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<td class="memname">bool Connect </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> & </td>
<td class="paramname"><em>mol</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
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<td class="paramtype">int </td>
<td class="paramname"><em>a</em>, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype">int </td>
<td class="paramname"><em>b</em>, </td>
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<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">int </td>
<td class="paramname"><em>bondOrder</em> = <code>1</code> </td>
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<tr>
<td></td>
<td>)</td>
<td></td><td><code> [static]</code></td>
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<p>Atoms a and b are part of two fragments that are not connected in mol. Connect will translate and rotate the fragment that contains b so that a and b are seperated by a bond. This bond is also added. </p>
<dl><dt><b>Parameters:</b></dt><dd>
<table class="params">
<tr><td class="paramname">mol</td><td>The molecule to be modified </td></tr>
<tr><td class="paramname">a</td><td>Index for atom in fragment that should not be rotated. </td></tr>
<tr><td class="paramname">b</td><td>Index for atom in fragment that should be rotated. </td></tr>
<tr><td class="paramname">bondOrder</td><td>Bond order of the new bond bewtween a and b. </td></tr>
</table>
</dd>
</dl>
<dl class="return"><dt><b>Returns:</b></dt><dd>true if succesfull or fails when failed (most likely cause for failing: a and b are in the same fragment, they are connected) </dd></dl>
</div>
</div>
<a class="anchor" id="ab97bb4c77a46265bdedaead1a6463ca7"></a><!-- doxytag: member="OpenBabel::OBBuilder::Swap" ref="ab97bb4c77a46265bdedaead1a6463ca7" args="(OBMol &mol, int a, int b, int c, int d)" -->
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<td class="memname">bool Swap </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> & </td>
<td class="paramname"><em>mol</em>, </td>
</tr>
<tr>
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<td></td>
<td class="paramtype">int </td>
<td class="paramname"><em>a</em>, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype">int </td>
<td class="paramname"><em>b</em>, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype">int </td>
<td class="paramname"><em>c</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">int </td>
<td class="paramname"><em>d</em> </td>
</tr>
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<td></td>
<td>)</td>
<td></td><td><code> [static]</code></td>
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<p>Swap group b, bonded to a with group d, bonded to c. The bonds a-b and b-c cannot be part of a ring. Atoms a and b will not be moved. Atoms b, d and their connected atoms (after deleting bonds ab and cd) will be translated/rotated.</p>
<p>Example: </p>
<div class="fragment"><pre class="fragment"> \ / /
b d
\ / <a class="code" href="classOpenBabel_1_1OBBuilder.shtml#ab97bb4c77a46265bdedaead1a6463ca7">Swap</a>(a,b,c,d) \ /
a---x ----> a---x
/ \ / / \ /
x c---d x c---b
\
</pre></div><p>This function can also be used to invert chiral centers if a and c are the same atom.</p>
<p>Example </p>
<div class="fragment"><pre class="fragment"> 1 3
| <a class="code" href="classOpenBabel_1_1OBBuilder.shtml#ab97bb4c77a46265bdedaead1a6463ca7">Swap</a>(<a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da739ce3f516592d245d16fd8a3893472c">C</a>,1,<a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da739ce3f516592d245d16fd8a3893472c">C</a>,3) |
2>-<a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da739ce3f516592d245d16fd8a3893472c">C</a>-<3 -----> 2>-<a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da739ce3f516592d245d16fd8a3893472c">C</a>-<1
| |
4 4
</pre></div>
</div>
</div>
<a class="anchor" id="a6898b04c792072e4ace54885e9ff7b10"></a><!-- doxytag: member="OpenBabel::OBBuilder::CorrectStereoBonds" ref="a6898b04c792072e4ace54885e9ff7b10" args="(OBMol &mol)" -->
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<td class="memname">void CorrectStereoBonds </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> & </td>
<td class="paramname"><em>mol</em></td><td>)</td>
<td><code> [static]</code></td>
</tr>
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<p>Atoms a and b must be bonded and this bond cannot be part of a ring. The bond will be broken and the smiles fragment will be inserted bewteen the two remaining fragments. The fragment that contains a will not be translated or rotated. Parameters c and d are the index in the smiles to which atoms a and b will be connected respectivly.</p>
<p>Correct double bond stereochemistry </p>
</div>
</div>
<a class="anchor" id="a568e42fdfa07962a14761bb9875ee138"></a><!-- doxytag: member="OpenBabel::OBBuilder::CorrectStereoAtoms" ref="a568e42fdfa07962a14761bb9875ee138" args="(OBMol &mol)" -->
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<td class="memname">void CorrectStereoAtoms </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> & </td>
<td class="paramname"><em>mol</em></td><td>)</td>
<td><code> [static]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
<p>Correct stereochemistry at tetrahedral atoms with at least two non-ring bonds. It also works for spiro atoms. </p>
</div>
</div>
<a class="anchor" id="a7baa4d72adf170defdf09a225b3edf57"></a><!-- doxytag: member="OpenBabel::OBBuilder::IsSpiroAtom" ref="a7baa4d72adf170defdf09a225b3edf57" args="(unsigned long atomId, OBMol &mol)" -->
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<td class="memname">bool IsSpiroAtom </td>
<td>(</td>
<td class="paramtype">unsigned long </td>
<td class="paramname"><em>atomId</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBMol.shtml">OBMol</a> & </td>
<td class="paramname"><em>mol</em> </td>
</tr>
<tr>
<td></td>
<td>)</td>
<td></td><td><code> [static]</code></td>
</tr>
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<p>Does this atom connect two rings which are not otherwise connected? </p>
</div>
</div>
<a class="anchor" id="a3ab05c6d2aa0e1597398b85b825b57b1"></a><!-- doxytag: member="OpenBabel::OBBuilder::GetFragment" ref="a3ab05c6d2aa0e1597398b85b825b57b1" args="(OBAtom *atom)" -->
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<td class="memname"><a class="el" href="classOpenBabel_1_1OBBitVec.shtml">OBBitVec</a> GetFragment </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBAtom.shtml">OBAtom</a> * </td>
<td class="paramname"><em>atom</em></td><td>)</td>
<td><code> [static]</code></td>
</tr>
</table>
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<p>Get the fragment to which this atom belongs. </p>
<dl><dt><b>Parameters:</b></dt><dd>
<table class="params">
<tr><td class="paramname">atom</td><td>Atom in the fragment. </td></tr>
</table>
</dd>
</dl>
<dl class="return"><dt><b>Returns:</b></dt><dd>The <a class="el" href="classOpenBabel_1_1OBBitVec.shtml" title="A speed-optimized vector of bits.">OBBitVec</a> defining the fragment to which a belongs. </dd></dl>
</div>
</div>
<a class="anchor" id="a26e58d067cc3985a84fbf5cfa031947d"></a><!-- doxytag: member="OpenBabel::OBBuilder::AddNbrs" ref="a26e58d067cc3985a84fbf5cfa031947d" args="(OBBitVec &fragment, OBAtom *atom)" -->
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<td class="memname">void AddNbrs </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBBitVec.shtml">OBBitVec</a> & </td>
<td class="paramname"><em>fragment</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBAtom.shtml">OBAtom</a> * </td>
<td class="paramname"><em>atom</em> </td>
</tr>
<tr>
<td></td>
<td>)</td>
<td></td><td><code> [static]</code></td>
</tr>
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</div>
<hr/>The documentation for this class was generated from the following files:<ul>
<li><a class="el" href="builder_8h_source.shtml">builder.h</a></li>
<li><a class="el" href="builder_8cpp.shtml">builder.cpp</a></li>
</ul>
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