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<h1>MPQC_Chemistry_QC_ModelFactory_Impl.hh</h1><div class="fragment"><pre class="fragment"><a name="l00001"></a>00001 <span class="comment">// </span>
<a name="l00002"></a>00002 <span class="comment">// File:          MPQC_Chemistry_QC_ModelFactory_Impl.hh</span>
<a name="l00003"></a>00003 <span class="comment">// Symbol:        MPQC.Chemistry_QC_ModelFactory-v0.2</span>
<a name="l00004"></a>00004 <span class="comment">// Symbol Type:   class</span>
<a name="l00005"></a>00005 <span class="comment">// Babel Version: 0.10.2</span>
<a name="l00006"></a>00006 <span class="comment">// Description:   Server-side implementation for MPQC.Chemistry_QC_ModelFactory</span>
<a name="l00007"></a>00007 <span class="comment">// </span>
<a name="l00008"></a>00008 <span class="comment">// WARNING: Automatically generated; only changes within splicers preserved</span>
<a name="l00009"></a>00009 <span class="comment">// </span>
<a name="l00010"></a>00010 <span class="comment">// babel-version = 0.10.2</span>
<a name="l00011"></a>00011 <span class="comment">// </span>
<a name="l00012"></a>00012 
<a name="l00013"></a>00013 <span class="preprocessor">#ifndef included_MPQC_Chemistry_QC_ModelFactory_Impl_hh</span>
<a name="l00014"></a>00014 <span class="preprocessor"></span><span class="preprocessor">#define included_MPQC_Chemistry_QC_ModelFactory_Impl_hh</span>
<a name="l00015"></a>00015 <span class="preprocessor"></span>
<a name="l00016"></a>00016 <span class="preprocessor">#ifndef included_sidl_cxx_hh</span>
<a name="l00017"></a>00017 <span class="preprocessor"></span><span class="preprocessor">#include "sidl_cxx.hh"</span>
<a name="l00018"></a>00018 <span class="preprocessor">#endif</span>
<a name="l00019"></a>00019 <span class="preprocessor"></span><span class="preprocessor">#ifndef included_MPQC_Chemistry_QC_ModelFactory_IOR_h</span>
<a name="l00020"></a>00020 <span class="preprocessor"></span><span class="preprocessor">#include "MPQC_Chemistry_QC_ModelFactory_IOR.h"</span>
<a name="l00021"></a>00021 <span class="preprocessor">#endif</span>
<a name="l00022"></a>00022 <span class="preprocessor"></span><span class="comment">// </span>
<a name="l00023"></a>00023 <span class="comment">// Includes for all method dependencies.</span>
<a name="l00024"></a>00024 <span class="comment">// </span>
<a name="l00025"></a>00025 <span class="preprocessor">#ifndef included_Chemistry_Molecule_hh</span>
<a name="l00026"></a>00026 <span class="preprocessor"></span><span class="preprocessor">#include "Chemistry_Molecule.hh"</span>
<a name="l00027"></a>00027 <span class="preprocessor">#endif</span>
<a name="l00028"></a>00028 <span class="preprocessor"></span><span class="preprocessor">#ifndef included_Chemistry_QC_GaussianBasis_IntegralEvaluatorFactory_hh</span>
<a name="l00029"></a>00029 <span class="preprocessor"></span><span class="preprocessor">#include "Chemistry_QC_GaussianBasis_IntegralEvaluatorFactory.hh"</span>
<a name="l00030"></a>00030 <span class="preprocessor">#endif</span>
<a name="l00031"></a>00031 <span class="preprocessor"></span><span class="preprocessor">#ifndef included_Chemistry_QC_Model_hh</span>
<a name="l00032"></a>00032 <span class="preprocessor"></span><span class="preprocessor">#include "Chemistry_QC_Model.hh"</span>
<a name="l00033"></a>00033 <span class="preprocessor">#endif</span>
<a name="l00034"></a>00034 <span class="preprocessor"></span><span class="preprocessor">#ifndef included_MPQC_Chemistry_QC_ModelFactory_hh</span>
<a name="l00035"></a>00035 <span class="preprocessor"></span><span class="preprocessor">#include "MPQC_Chemistry_QC_ModelFactory.hh"</span>
<a name="l00036"></a>00036 <span class="preprocessor">#endif</span>
<a name="l00037"></a>00037 <span class="preprocessor"></span><span class="preprocessor">#ifndef included_gov_cca_CCAException_hh</span>
<a name="l00038"></a>00038 <span class="preprocessor"></span><span class="preprocessor">#include "gov_cca_CCAException.hh"</span>
<a name="l00039"></a>00039 <span class="preprocessor">#endif</span>
<a name="l00040"></a>00040 <span class="preprocessor"></span><span class="preprocessor">#ifndef included_gov_cca_Services_hh</span>
<a name="l00041"></a>00041 <span class="preprocessor"></span><span class="preprocessor">#include "gov_cca_Services.hh"</span>
<a name="l00042"></a>00042 <span class="preprocessor">#endif</span>
<a name="l00043"></a>00043 <span class="preprocessor"></span><span class="preprocessor">#ifndef included_sidl_BaseException_hh</span>
<a name="l00044"></a>00044 <span class="preprocessor"></span><span class="preprocessor">#include "sidl_BaseException.hh"</span>
<a name="l00045"></a>00045 <span class="preprocessor">#endif</span>
<a name="l00046"></a>00046 <span class="preprocessor"></span><span class="preprocessor">#ifndef included_sidl_BaseInterface_hh</span>
<a name="l00047"></a>00047 <span class="preprocessor"></span><span class="preprocessor">#include "sidl_BaseInterface.hh"</span>
<a name="l00048"></a>00048 <span class="preprocessor">#endif</span>
<a name="l00049"></a>00049 <span class="preprocessor"></span><span class="preprocessor">#ifndef included_sidl_ClassInfo_hh</span>
<a name="l00050"></a>00050 <span class="preprocessor"></span><span class="preprocessor">#include "sidl_ClassInfo.hh"</span>
<a name="l00051"></a>00051 <span class="preprocessor">#endif</span>
<a name="l00052"></a>00052 <span class="preprocessor"></span>
<a name="l00053"></a>00053 
<a name="l00054"></a>00054 <span class="comment">// DO-NOT-DELETE splicer.begin(MPQC.Chemistry_QC_ModelFactory._includes)</span>
<a name="l00055"></a>00055 
<a name="l00056"></a>00056 <span class="preprocessor">#include &lt;string&gt;</span>
<a name="l00057"></a>00057 <span class="preprocessor">#include "Chemistry_MoleculeFactory.hh"</span>
<a name="l00058"></a>00058 <span class="preprocessor">#include &lt;util/group/message.h&gt;</span>
<a name="l00059"></a>00059 <span class="preprocessor">#include &lt;util/group/memory.h&gt;</span>
<a name="l00060"></a>00060 <span class="preprocessor">#include &lt;util/group/mstate.h&gt;</span>
<a name="l00061"></a>00061 <span class="preprocessor">#include &lt;util/group/thread.h&gt;</span>
<a name="l00062"></a>00062 <span class="preprocessor">#include &lt;util/group/pregtime.h&gt;</span>
<a name="l00063"></a>00063 <span class="comment">//#include &lt;util/group/messmpi.h&gt;</span>
<a name="l00064"></a>00064 <span class="preprocessor">#include &lt;chemistry/qc/intcca/intcca.h&gt;</span>
<a name="l00065"></a>00065 <span class="preprocessor">#include &lt;chemistry/qc/basis/integral.h&gt;</span>
<a name="l00066"></a>00066 <span class="preprocessor">#include "cca.h"</span>
<a name="l00067"></a>00067 <span class="preprocessor">#include "dc/babel/babel-cca/server/ccaffeine_TypeMap.hh"</span>
<a name="l00068"></a>00068 <span class="preprocessor">#include "dc/babel/babel-cca/server/ccaffeine_ports_PortTranslator.hh"</span>
<a name="l00069"></a>00069 <span class="preprocessor">#include "util/IO.h"</span>
<a name="l00070"></a>00070 <span class="preprocessor">#include "jc++/jc++.h"</span>
<a name="l00071"></a>00071 <span class="preprocessor">#include "jc++/util/jc++util.h"</span>
<a name="l00072"></a>00072 <span class="preprocessor">#include "parameters/parametersStar.h"</span>
<a name="l00073"></a>00073 <span class="preprocessor">#include "port/portInterfaces.h"</span>
<a name="l00074"></a>00074 <span class="preprocessor">#include "port/supportInterfaces.h"</span>
<a name="l00075"></a>00075 
<a name="l00076"></a>00076 <span class="comment">// DO-NOT-DELETE splicer.end(MPQC.Chemistry_QC_ModelFactory._includes)</span>
<a name="l00077"></a>00077 
<a name="l00078"></a>00078 <span class="keyword">namespace </span>MPQC { 
<a name="l00079"></a>00079 
<a name="l00083"></a><a class="code" href="classMPQC_1_1Chemistry__QC__ModelFactory__impl.html">00083</a>   <span class="keyword">class </span><a class="code" href="classMPQC_1_1Chemistry__QC__ModelFactory__impl.html" title="Symbol &amp;quot;MPQC.Chemistry_QC_ModelFactory&amp;quot; (version 0.2).">Chemistry_QC_ModelFactory_impl</a>
<a name="l00084"></a>00084   <span class="comment">// DO-NOT-DELETE splicer.begin(MPQC.Chemistry_QC_ModelFactory._inherits)</span>
<a name="l00085"></a>00085 
<a name="l00120"></a>00120   <span class="comment">// Put additional inheritance here...</span>
<a name="l00121"></a>00121   <span class="comment">// DO-NOT-DELETE splicer.end(MPQC.Chemistry_QC_ModelFactory._inherits)</span>
<a name="l00122"></a>00122   {
<a name="l00123"></a>00123 
<a name="l00124"></a>00124   <span class="keyword">private</span>:
<a name="l00125"></a>00125     <span class="comment">// Pointer back to IOR.</span>
<a name="l00126"></a>00126     <span class="comment">// Use this to dispatch back through IOR vtable.</span>
<a name="l00127"></a>00127     Chemistry_QC_ModelFactory <span class="keyword">self</span>;
<a name="l00128"></a>00128 
<a name="l00129"></a>00129     <span class="comment">// DO-NOT-DELETE splicer.begin(MPQC.Chemistry_QC_ModelFactory._implementation)</span>
<a name="l00130"></a>00130       std::string theory_;
<a name="l00131"></a>00131       std::string basis_;
<a name="l00132"></a>00132       std::string molecule_filename_;
<a name="l00133"></a>00133       StringParameter *theory_param_, *basis_param_, *molecule_filename_param_, 
<a name="l00134"></a>00134                       *keyval_filename_param_, *integral_buffer_param_;
<a name="l00135"></a>00135 
<a name="l00136"></a>00136       gov::cca::Services services_;
<a name="l00137"></a>00137 
<a name="l00138"></a>00138       Chemistry::MoleculeFactory molecule_factory_;
<a name="l00139"></a>00139       Chemistry::Molecule molecule_;
<a name="l00140"></a>00140       Chemistry::QC::GaussianBasis::IntegralEvaluatorFactory eval_factory_;
<a name="l00141"></a>00141 
<a name="l00142"></a>00142       <a class="code" href="classsc_1_1Ref.html">sc::Ref&lt;sc::MessageGrp&gt;</a> grp_;
<a name="l00143"></a>00143       <a class="code" href="classsc_1_1Ref.html">sc::Ref&lt;sc::ThreadGrp&gt;</a> thread_;
<a name="l00144"></a>00144       <a class="code" href="classsc_1_1Ref.html">sc::Ref&lt;sc::MemoryGrp&gt;</a> memory_;
<a name="l00145"></a>00145 
<a name="l00146"></a>00146       <a class="code" href="classsc_1_1Ref.html">sc::Ref&lt;sc::IntegralCCA&gt;</a> intcca_;
<a name="l00147"></a>00147 
<a name="l00148"></a>00148       ConfigurableParameterPort* 
<a name="l00149"></a>00149         setup_parameters(ConfigurableParameterFactory*);
<a name="l00150"></a>00150 
<a name="l00151"></a>00151     <span class="comment">// DO-NOT-DELETE splicer.end(MPQC.Chemistry_QC_ModelFactory._implementation)</span>
<a name="l00152"></a>00152 
<a name="l00153"></a>00153   <span class="keyword">private</span>:
<a name="l00154"></a>00154     <span class="comment">// private default constructor (required)</span>
<a name="l00155"></a>00155     <a class="code" href="classMPQC_1_1Chemistry__QC__ModelFactory__impl.html" title="Symbol &amp;quot;MPQC.Chemistry_QC_ModelFactory&amp;quot; (version 0.2).">Chemistry_QC_ModelFactory_impl</a>() 
<a name="l00156"></a>00156     {} 
<a name="l00157"></a>00157 
<a name="l00158"></a>00158   <span class="keyword">public</span>:
<a name="l00159"></a>00159     <span class="comment">// sidl constructor (required)</span>
<a name="l00160"></a>00160     <span class="comment">// Note: alternate Skel constructor doesn't call addref()</span>
<a name="l00161"></a>00161     <span class="comment">// (fixes bug #275)</span>
<a name="l00162"></a>00162     <a class="code" href="classMPQC_1_1Chemistry__QC__ModelFactory__impl.html" title="Symbol &amp;quot;MPQC.Chemistry_QC_ModelFactory&amp;quot; (version 0.2).">Chemistry_QC_ModelFactory_impl</a>( <span class="keyword">struct</span> 
<a name="l00163"></a>00163       MPQC_Chemistry_QC_ModelFactory__object * s ) : <span class="keyword">self</span>(s,<span class="keyword">true</span>) { _ctor(); }
<a name="l00164"></a>00164 
<a name="l00165"></a>00165     <span class="comment">// user defined construction</span>
<a name="l00166"></a>00166     <span class="keywordtype">void</span> _ctor();
<a name="l00167"></a>00167 
<a name="l00168"></a>00168     <span class="comment">// virtual destructor (required)</span>
<a name="l00169"></a>00169     <span class="keyword">virtual</span> ~<a class="code" href="classMPQC_1_1Chemistry__QC__ModelFactory__impl.html" title="Symbol &amp;quot;MPQC.Chemistry_QC_ModelFactory&amp;quot; (version 0.2).">Chemistry_QC_ModelFactory_impl</a>() { _dtor(); }
<a name="l00170"></a>00170 
<a name="l00171"></a>00171     <span class="comment">// user defined destruction</span>
<a name="l00172"></a>00172     <span class="keywordtype">void</span> _dtor();
<a name="l00173"></a>00173 
<a name="l00174"></a>00174     <span class="comment">// static class initializer</span>
<a name="l00175"></a>00175     <span class="keyword">static</span> <span class="keywordtype">void</span> _load();
<a name="l00176"></a>00176 
<a name="l00177"></a>00177   <span class="keyword">public</span>:
<a name="l00178"></a>00178 
<a name="l00179"></a>00179 
<a name="l00197"></a>00197     <span class="keywordtype">void</span>
<a name="l00198"></a>00198     <a class="code" href="classMPQC_1_1Chemistry__QC__ModelFactory__impl.html#65a792c7030536469d10a1f7780dcafc" title="Starts up a component presence in the calling framework.">setServices</a> (
<a name="l00199"></a>00199       <span class="comment">/* in */</span> ::gov::cca::Services services
<a name="l00200"></a>00200     )
<a name="l00201"></a>00201     <span class="keywordflow">throw</span> ( 
<a name="l00202"></a>00202       ::gov::cca::CCAException
<a name="l00203"></a>00203     );
<a name="l00204"></a>00204 
<a name="l00205"></a>00205 
<a name="l00210"></a>00210     <span class="keywordtype">void</span>
<a name="l00211"></a>00211     <a class="code" href="classMPQC_1_1Chemistry__QC__ModelFactory__impl.html#b760c3a2c6194ffb124780ea129d020a" title="Set the theory name for Model&amp;#39;s created with get_model.">set_theory</a> (
<a name="l00212"></a>00212       <span class="comment">/* in */</span> const ::std::string&amp; theory
<a name="l00213"></a>00213     )
<a name="l00214"></a>00214     <span class="keywordflow">throw</span> () 
<a name="l00215"></a>00215     ;
<a name="l00216"></a>00216 
<a name="l00217"></a>00217 
<a name="l00222"></a>00222     <span class="keywordtype">void</span>
<a name="l00223"></a>00223     <a class="code" href="classMPQC_1_1Chemistry__QC__ModelFactory__impl.html#b206182f002bc7059b2058ae245a67ad" title="Set the basis set name for Model&amp;#39;s created with get_model.">set_basis</a> (
<a name="l00224"></a>00224       <span class="comment">/* in */</span> const ::std::string&amp; basis
<a name="l00225"></a>00225     )
<a name="l00226"></a>00226     <span class="keywordflow">throw</span> () 
<a name="l00227"></a>00227     ;
<a name="l00228"></a>00228 
<a name="l00229"></a>00229 
<a name="l00234"></a>00234     <span class="keywordtype">void</span>
<a name="l00235"></a>00235     <a class="code" href="classMPQC_1_1Chemistry__QC__ModelFactory__impl.html#5a4d88a5257fb2c88c0afc446e9077f8" title="Set the Molecule to use for Model&amp;#39;s created with get_model.">set_molecule</a> (
<a name="l00236"></a>00236       <span class="comment">/* in */</span> ::Chemistry::Molecule molecule
<a name="l00237"></a>00237     )
<a name="l00238"></a>00238     <span class="keywordflow">throw</span> () 
<a name="l00239"></a>00239     ;
<a name="l00240"></a>00240 
<a name="l00241"></a>00241 
<a name="l00247"></a>00247     <span class="keywordtype">void</span>
<a name="l00248"></a>00248     <a class="code" href="classMPQC_1_1Chemistry__QC__ModelFactory__impl.html#9562869783448d72a7c01a1a55c34d54" title="Set the object to use to compute integrals for Model&amp;#39;s created with get_model...">set_integral_factory</a> (
<a name="l00249"></a>00249       <span class="comment">/* in */</span> ::Chemistry::QC::GaussianBasis::IntegralEvaluatorFactory intfact
<a name="l00250"></a>00250     )
<a name="l00251"></a>00251     <span class="keywordflow">throw</span> () 
<a name="l00252"></a>00252     ;
<a name="l00253"></a>00253 
<a name="l00254"></a>00254 
<a name="l00260"></a>00260     ::Chemistry::QC::Model
<a name="l00261"></a>00261     <a class="code" href="classMPQC_1_1Chemistry__QC__ModelFactory__impl.html#134362ef5e26eec9072d7456e286ffdc" title="Returns a newly created Model.">get_model</a>() <span class="keywordflow">throw</span> ( 
<a name="l00262"></a>00262       ::sidl::BaseException
<a name="l00263"></a>00263     );
<a name="l00264"></a>00264 
<a name="l00269"></a>00269     int32_t
<a name="l00270"></a>00270     <a class="code" href="classMPQC_1_1Chemistry__QC__ModelFactory__impl.html#6d061818cd3ab0ea5a4211d87eb94102" title="This can be called when this Model object is no longer needed.">finalize</a>() <span class="keywordflow">throw</span> () 
<a name="l00271"></a>00271     ;
<a name="l00272"></a>00272   };  <span class="comment">// end class Chemistry_QC_ModelFactory_impl</span>
<a name="l00273"></a>00273 
<a name="l00274"></a>00274 } <span class="comment">// end namespace MPQC</span>
<a name="l00275"></a>00275 
<a name="l00276"></a>00276 <span class="comment">// DO-NOT-DELETE splicer.begin(MPQC.Chemistry_QC_ModelFactory._misc)</span>
<a name="l00277"></a>00277 <span class="comment">// Put miscellaneous things here...</span>
<a name="l00278"></a>00278 <span class="comment">// DO-NOT-DELETE splicer.end(MPQC.Chemistry_QC_ModelFactory._misc)</span>
<a name="l00279"></a>00279 
<a name="l00280"></a>00280 <span class="preprocessor">#endif</span>
</pre></div></div>
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