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<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
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<title>OpTransform Class Reference</title>
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<li class="navelem"><a class="el" href="namespaceOpenBabel.shtml">OpenBabel</a> </li>
<li class="navelem"><a class="el" href="classOpenBabel_1_1OpTransform.shtml">OpTransform</a> </li>
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<div class="summary">
<a href="#pub-types">Public Types</a> |
<a href="#pub-methods">Public Member Functions</a> |
<a href="#pub-static-methods">Static Public Member Functions</a> |
<a href="#pro-static-methods">Static Protected Member Functions</a> |
<a href="#pro-attribs">Protected Attributes</a> </div>
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<div class="title">OpTransform Class Reference</div> </div>
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<!-- doxytag: class="OpenBabel::OpTransform" --><!-- doxytag: inherits="OpenBabel::OBOp" -->
<p><code>#include <<a class="el" href="optransform_8h_source.shtml">openbabel/optransform.h</a>></code></p>
<div class="dynheader">
Inheritance diagram for OpTransform:</div>
<div class="dyncontent">
<div class="center"><img src="classOpenBabel_1_1OpTransform__inherit__graph.png" border="0" usemap="#OpTransform_inherit__map" alt="Inheritance graph"/></div>
<map name="OpTransform_inherit__map" id="OpTransform_inherit__map">
<area shape="rect" id="node2" href="classOpenBabel_1_1OBOp.shtml" title="Operations to modify molecules before output." alt="" coords="28,83,89,112"/><area shape="rect" id="node4" href="classOpenBabel_1_1OBPlugin.shtml" title="Base class for all types of dynamic classes discovered at runtime." alt="" coords="17,5,100,35"/></map>
<center><span class="legend">[<a href="graph_legend.shtml">legend</a>]</span></center></div>
<p><a href="classOpenBabel_1_1OpTransform-members.shtml">List of all members.</a></p>
<table class="memberdecls">
<tr><td colspan="2"><h2><a name="pub-types"></a>
Public Types</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">typedef const std::map<br class="typebreak"/>
< std::string, std::string > </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBOp.shtml#a4e98002937e35472f2b829eaf98913d3">OpMap</a></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">typedef std::map< const char <br class="typebreak"/>
*, <a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a> *, <a class="el" href="structOpenBabel_1_1CharPtrLess.shtml">CharPtrLess</a> > </td><td class="memItemRight" valign="bottom"><a class="el" href="group__plugins.shtml#ga0fd3c807ed3341c33070c93b14739bc8">PluginMapType</a></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">typedef <br class="typebreak"/>
PluginMapType::const_iterator </td><td class="memItemRight" valign="bottom"><a class="el" href="group__plugins.shtml#ga8fac85f5497f873a2dd8734b47f0bdc0">PluginIterator</a></td></tr>
<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_1OpTransform.shtml#a89c92f4e29130fbff3f9385dc4166368">OpTransform</a> (const char *ID, const char *filename, const char *descr)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OpTransform.shtml#a9d38cff6f979c8de63755d5171047f6a">~OpTransform</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual const char * </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OpTransform.shtml#a4a6b8d1611d5d963fc29982cc1ebcbf7">Description</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OpTransform.shtml#a1ca500aeb02418c2928d551c55d4efc1">WorksWith</a> (<a class="el" href="classOpenBabel_1_1OBBase.shtml">OBBase</a> *pOb) const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OpTransform.shtml#a6d16b63b2ed4cf1fe9c8038388d3b4db">Do</a> (<a class="el" href="classOpenBabel_1_1OBBase.shtml">OBBase</a> *pOb, const char *OptionText=NULL, <a class="el" href="classOpenBabel_1_1OBOp.shtml#a4e98002937e35472f2b829eaf98913d3">OpMap</a> *pOptions=NULL, <a class="el" href="classOpenBabel_1_1OBConversion.shtml">OBConversion</a> *pConv=NULL)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual <a class="el" href="classOpenBabel_1_1OpTransform.shtml">OpTransform</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OpTransform.shtml#aed21db4d9fb23cb30d0440e844a69f57">MakeInstance</a> (const std::vector< std::string > &textlines)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual const char * </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBOp.shtml#a45dfda1fb13d3c26ab7f8f7631e3351c">TypeID</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBOp.shtml#ad3d67611882dee42047de32adf603602">ProcessVec</a> (std::vector< <a class="el" href="classOpenBabel_1_1OBBase.shtml">OBBase</a> * > &)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual bool </td><td class="memItemRight" valign="bottom"><a class="el" href="group__plugins.shtml#gae0859fdbf134af95a8231eb32c73b7db">Display</a> (std::string &txt, const char *param, const char *ID=NULL)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__plugins.shtml#ga3e0b39e1326de703012f81ac2be7feba">Init</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">const char * </td><td class="memItemRight" valign="bottom"><a class="el" href="group__plugins.shtml#ga753a34173c6750388d33e5294556790f">GetID</a> () const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual <a class="el" href="group__plugins.shtml#ga0fd3c807ed3341c33070c93b14739bc8">PluginMapType</a> & </td><td class="memItemRight" valign="bottom"><a class="el" href="group__plugins.shtml#gaabc1385cbe63145ffec6edf1f2c3be98">GetMap</a> () const =0</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 std::string </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBOp.shtml#a64e598f68f30107a74319b9fc6d26cd0">OpOptions</a> (<a class="el" href="classOpenBabel_1_1OBBase.shtml">OBBase</a> *pOb)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBOp.shtml#a139b43c8cee15687f02550c031e558d7">DoOps</a> (<a class="el" href="classOpenBabel_1_1OBBase.shtml">OBBase</a> *pOb, <a class="el" href="classOpenBabel_1_1OBOp.shtml#a4e98002937e35472f2b829eaf98913d3">OpMap</a> *pOptions, <a class="el" href="classOpenBabel_1_1OBConversion.shtml">OBConversion</a> *pConv)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static <a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="group__plugins.shtml#ga295dc7f1b94da710821c562bff3e7c97">GetPlugin</a> (const char *Type, const char *ID)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static bool </td><td class="memItemRight" valign="bottom"><a class="el" href="group__plugins.shtml#gaf95953a5793333ba51e978c4a0a00103">ListAsVector</a> (const char *PluginID, const char *param, std::vector< std::string > &vlist)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__plugins.shtml#ga9fabfd2513038ae6ac475ac0ff2c73cd">List</a> (const char *PluginID, const char *param=NULL, std::ostream *os=&std::cout)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static std::string </td><td class="memItemRight" valign="bottom"><a class="el" href="group__plugins.shtml#gaba22c5352d36c7f058299af7ddffb03e">ListAsString</a> (const char *PluginID, const char *param=NULL)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static std::string </td><td class="memItemRight" valign="bottom"><a class="el" href="group__plugins.shtml#ga84fc973fdf4bba5a6b0e2d402077991c">FirstLine</a> (const char *txt)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static <a class="el" href="group__plugins.shtml#ga8fac85f5497f873a2dd8734b47f0bdc0">PluginIterator</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="group__plugins.shtml#ga1d4d73999ab0518ee471c635bd0a7e87">Begin</a> (const char *PluginID)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static <a class="el" href="group__plugins.shtml#ga8fac85f5497f873a2dd8734b47f0bdc0">PluginIterator</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="group__plugins.shtml#ga9a330280c1cd2e7119dac87a6fd0b762">End</a> (const char *PluginID)</td></tr>
<tr><td colspan="2"><h2><a name="pro-static-methods"></a>
Static Protected Member Functions</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static <a class="el" href="group__plugins.shtml#ga0fd3c807ed3341c33070c93b14739bc8">PluginMapType</a> & </td><td class="memItemRight" valign="bottom"><a class="el" href="group__plugins.shtml#gac40457336d7b12bb632b4ac4e8955a3a">PluginMap</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static <a class="el" href="group__plugins.shtml#ga0fd3c807ed3341c33070c93b14739bc8">PluginMapType</a> & </td><td class="memItemRight" valign="bottom"><a class="el" href="group__plugins.shtml#gadfcf9fda27cfbc4301fc94517a4250ef">GetTypeMap</a> (const char *PluginID)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static <a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="group__plugins.shtml#ga1e58b1811ec8c1b88254ee46ccef0b78">BaseFindType</a> (<a class="el" href="group__plugins.shtml#ga0fd3c807ed3341c33070c93b14739bc8">PluginMapType</a> &Map, const char *ID)</td></tr>
<tr><td colspan="2"><h2><a name="pro-attribs"></a>
Protected Attributes</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">const char * </td><td class="memItemRight" valign="bottom"><a class="el" href="group__plugins.shtml#ga1f8d25dafb0bc13814ca451035f67955">_id</a></td></tr>
</table>
<hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
<div class="textblock"><p>Applies molecular reactions/transforms (<a class="el" href="classOpenBabel_1_1OBChemTsfm.shtml" title="SMARTS based structural modification (chemical transformation)">OBChemTsfm</a> class) read from a datafile. </p>
<dl class="since"><dt><b>Since:</b></dt><dd>version 2.2 </dd></dl>
</div><hr/><h2>Member Typedef Documentation</h2>
<a class="anchor" id="a4e98002937e35472f2b829eaf98913d3"></a><!-- doxytag: member="OpenBabel::OpTransform::OpMap" ref="a4e98002937e35472f2b829eaf98913d3" args="" -->
<div class="memitem">
<div class="memproto">
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<td class="memname">typedef const std::map<std::string, std::string> <a class="el" href="classOpenBabel_1_1OBOp.shtml#a4e98002937e35472f2b829eaf98913d3">OpMap</a><code> [inherited]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
</div>
</div>
<hr/><h2>Constructor & Destructor Documentation</h2>
<a class="anchor" id="a89c92f4e29130fbff3f9385dc4166368"></a><!-- doxytag: member="OpenBabel::OpTransform::OpTransform" ref="a89c92f4e29130fbff3f9385dc4166368" args="(const char *ID, const char *filename, const char *descr)" -->
<div class="memitem">
<div class="memproto">
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<td class="memname"><a class="el" href="classOpenBabel_1_1OpTransform.shtml">OpTransform</a> </td>
<td>(</td>
<td class="paramtype">const char * </td>
<td class="paramname"><em>ID</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">const char * </td>
<td class="paramname"><em>filename</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">const char * </td>
<td class="paramname"><em>descr</em> </td>
</tr>
<tr>
<td></td>
<td>)</td>
<td></td><td><code> [inline]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
<p>constructor. Each instance provides an ID, a datafile and a description. </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OpTransform.shtml#aed21db4d9fb23cb30d0440e844a69f57">OpTransform::MakeInstance()</a>.</p>
</div>
</div>
<a class="anchor" id="a9d38cff6f979c8de63755d5171047f6a"></a><!-- doxytag: member="OpenBabel::OpTransform::~OpTransform" ref="a9d38cff6f979c8de63755d5171047f6a" args="()" -->
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<table class="memname">
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<td class="memname">~<a class="el" href="classOpenBabel_1_1OpTransform.shtml">OpTransform</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="a4a6b8d1611d5d963fc29982cc1ebcbf7"></a><!-- doxytag: member="OpenBabel::OpTransform::Description" ref="a4a6b8d1611d5d963fc29982cc1ebcbf7" args="()" -->
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<td class="memname">virtual const char* Description </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td><code> [virtual]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
<p>Required description of a sub-type. </p>
<p>Reimplemented from <a class="el" href="group__plugins.shtml#ga4a6b8d1611d5d963fc29982cc1ebcbf7">OBPlugin</a>.</p>
</div>
</div>
<a class="anchor" id="a1ca500aeb02418c2928d551c55d4efc1"></a><!-- doxytag: member="OpenBabel::OpTransform::WorksWith" ref="a1ca500aeb02418c2928d551c55d4efc1" args="(OBBase *pOb) const " -->
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<td class="memname">virtual bool WorksWith </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBBase.shtml">OBBase</a> * </td>
<td class="paramname"><em>pOb</em></td><td>)</td>
<td> const<code> [inline, virtual]</code></td>
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<div class="memdoc">
<p>Checks that this op is being applied to the right kind of object(OBMol) </p>
<p>Implements <a class="el" href="classOpenBabel_1_1OBOp.shtml#a841238ff5ff03c1c9341dea0105469c6">OBOp</a>.</p>
</div>
</div>
<a class="anchor" id="a6d16b63b2ed4cf1fe9c8038388d3b4db"></a><!-- doxytag: member="OpenBabel::OpTransform::Do" ref="a6d16b63b2ed4cf1fe9c8038388d3b4db" args="(OBBase *pOb, const char *OptionText=NULL, OpMap *pOptions=NULL, OBConversion *pConv=NULL)" -->
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<td class="memname">virtual bool Do </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBBase.shtml">OBBase</a> * </td>
<td class="paramname"><em>pOb</em>, </td>
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<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">const char * </td>
<td class="paramname"><em>OptionText</em> = <code>NULL</code>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBOp.shtml#a4e98002937e35472f2b829eaf98913d3">OpMap</a> * </td>
<td class="paramname"><em>pOptions</em> = <code>NULL</code>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBConversion.shtml">OBConversion</a> * </td>
<td class="paramname"><em>pConv</em> = <code>NULL</code> </td>
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<td></td>
<td>)</td>
<td></td><td><code> [virtual]</code></td>
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<p>Carries out the transform. </p>
<p>Implements <a class="el" href="classOpenBabel_1_1OBOp.shtml#ad1f068b2923689e4c4c48a76a3e885e4">OBOp</a>.</p>
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<a class="anchor" id="aed21db4d9fb23cb30d0440e844a69f57"></a><!-- doxytag: member="OpenBabel::OpTransform::MakeInstance" ref="aed21db4d9fb23cb30d0440e844a69f57" args="(const std::vector< std::string > &textlines)" -->
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<td class="memname">virtual <a class="el" href="classOpenBabel_1_1OpTransform.shtml">OpTransform</a>* MakeInstance </td>
<td>(</td>
<td class="paramtype">const std::vector< std::string > & </td>
<td class="paramname"></td><td>)</td>
<td><code> [inline, virtual]</code></td>
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<div class="memdoc">
<p>Make a new instance of the class. See <a class="el" href="classOpenBabel_1_1OpTransform.shtml" title="Applies molecular reactions/transforms (OBChemTsfm class) read from a datafile.">OpTransform</a>, <a class="el" href="classOpenBabel_1_1OBGroupContrib.shtml" title="Handle group contribution algorithms.">OBGroupContrib</a>, SmartsDescriptor classes for derived versions. Usually, the first parameter is the classname, the next three are parameters(ID, filename, description) for a constructor, and the rest data. </p>
<p>Reimplemented from <a class="el" href="group__plugins.shtml#ga9399e9568ab809d714385f1b237a9335">OBPlugin</a>.</p>
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<a class="anchor" id="a45dfda1fb13d3c26ab7f8f7631e3351c"></a><!-- doxytag: member="OpenBabel::OpTransform::TypeID" ref="a45dfda1fb13d3c26ab7f8f7631e3351c" args="()" -->
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<td class="memname">virtual const char* TypeID </td>
<td>(</td>
<td class="paramname"></td><td>)</td>
<td><code> [inline, virtual, inherited]</code></td>
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<div class="memdoc">
<p>Provides the name of this kind of plugin. Use -L "ops" to list from commandline. </p>
<p>Reimplemented from <a class="el" href="group__plugins.shtml#ga45dfda1fb13d3c26ab7f8f7631e3351c">OBPlugin</a>.</p>
</div>
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<a class="anchor" id="ad3d67611882dee42047de32adf603602"></a><!-- doxytag: member="OpenBabel::OpTransform::ProcessVec" ref="ad3d67611882dee42047de32adf603602" args="(std::vector< OBBase * > &)" -->
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<td class="memname">virtual bool ProcessVec </td>
<td>(</td>
<td class="paramtype">std::vector< <a class="el" href="classOpenBabel_1_1OBBase.shtml">OBBase</a> * > & </td>
<td class="paramname"></td><td>)</td>
<td><code> [inline, virtual, inherited]</code></td>
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<div class="memdoc">
<p>Do something with an array of objects. Used a a callback routine in OpSort, etc. </p>
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<a class="anchor" id="a64e598f68f30107a74319b9fc6d26cd0"></a><!-- doxytag: member="OpenBabel::OpTransform::OpOptions" ref="a64e598f68f30107a74319b9fc6d26cd0" args="(OBBase *pOb)" -->
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<td class="memname">static std::string OpOptions </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBBase.shtml">OBBase</a> * </td>
<td class="paramname"><em>pOb</em></td><td>)</td>
<td><code> [inline, static, inherited]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
<dl class="return"><dt><b>Returns:</b></dt><dd>string describing options, for display with -H and to make checkboxes in GUI </dd></dl>
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</div>
<a class="anchor" id="a139b43c8cee15687f02550c031e558d7"></a><!-- doxytag: member="OpenBabel::OpTransform::DoOps" ref="a139b43c8cee15687f02550c031e558d7" args="(OBBase *pOb, OpMap *pOptions, OBConversion *pConv)" -->
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<td class="memname">static bool DoOps </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBBase.shtml">OBBase</a> * </td>
<td class="paramname"><em>pOb</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBOp.shtml#a4e98002937e35472f2b829eaf98913d3">OpMap</a> * </td>
<td class="paramname"><em>pOptions</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="classOpenBabel_1_1OBConversion.shtml">OBConversion</a> * </td>
<td class="paramname"><em>pConv</em> </td>
</tr>
<tr>
<td></td>
<td>)</td>
<td></td><td><code> [inline, static, inherited]</code></td>
</tr>
</table>
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<div class="memdoc">
<p>Call <a class="el" href="classOpenBabel_1_1OBOp.shtml#ad1f068b2923689e4c4c48a76a3e885e4" title="Required function that does the work. Normally return true, unless object is not to be output...">Do()</a> of all the OBOps whose ID is a key in the map. Called from DoTransformations(). The map has general options like -x or --multicharoption The key is the option name and the value, if any, is text which follows the option name. In some cases, there may be several parameters, space separated) </p>
<dl class="return"><dt><b>Returns:</b></dt><dd>false indicating object should not be output, if any <a class="el" href="classOpenBabel_1_1OBOp.shtml#ad1f068b2923689e4c4c48a76a3e885e4" title="Required function that does the work. Normally return true, unless object is not to be output...">Do()</a> returns false </dd></dl>
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</div>
<hr/>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="optransform_8h_source.shtml">optransform.h</a></li>
</ul>
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