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<h1>MPQC_GaussianBasis_Shell_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_GaussianBasis_Shell_Impl.hh</span>
<a name="l00003"></a>00003 <span class="comment">// Symbol:        MPQC.GaussianBasis_Shell-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.GaussianBasis_Shell</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_GaussianBasis_Shell_Impl_hh</span>
<a name="l00014"></a>00014 <span class="preprocessor"></span><span class="preprocessor">#define included_MPQC_GaussianBasis_Shell_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_GaussianBasis_Shell_IOR_h</span>
<a name="l00020"></a>00020 <span class="preprocessor"></span><span class="preprocessor">#include "MPQC_GaussianBasis_Shell_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_QC_GaussianBasis_AngularType_hh</span>
<a name="l00026"></a>00026 <span class="preprocessor"></span><span class="preprocessor">#include "Chemistry_QC_GaussianBasis_AngularType.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_MPQC_GaussianBasis_Shell_hh</span>
<a name="l00029"></a>00029 <span class="preprocessor"></span><span class="preprocessor">#include "MPQC_GaussianBasis_Shell.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_sidl_BaseInterface_hh</span>
<a name="l00032"></a>00032 <span class="preprocessor"></span><span class="preprocessor">#include "sidl_BaseInterface.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_sidl_ClassInfo_hh</span>
<a name="l00035"></a>00035 <span class="preprocessor"></span><span class="preprocessor">#include "sidl_ClassInfo.hh"</span>
<a name="l00036"></a>00036 <span class="preprocessor">#endif</span>
<a name="l00037"></a>00037 <span class="preprocessor"></span>
<a name="l00038"></a>00038 
<a name="l00039"></a>00039 <span class="comment">// DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Shell._includes)</span>
<a name="l00040"></a>00040 <span class="preprocessor">#include &lt;chemistry/qc/basis/basis.h&gt;</span>
<a name="l00041"></a>00041 <span class="keyword">using namespace </span>std;
<a name="l00042"></a>00042 <span class="keyword">using namespace </span>Chemistry::QC::GaussianBasis;
<a name="l00043"></a>00043 <span class="keyword">using namespace </span>sc;
<a name="l00044"></a>00044 <span class="comment">// DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Shell._includes)</span>
<a name="l00045"></a>00045 
<a name="l00046"></a>00046 <span class="keyword">namespace </span>MPQC { 
<a name="l00047"></a>00047 
<a name="l00051"></a><a class="code" href="classMPQC_1_1GaussianBasis__Shell__impl.html">00051</a>   <span class="keyword">class </span><a class="code" href="classMPQC_1_1GaussianBasis__Shell__impl.html" title="Symbol &amp;quot;MPQC.GaussianBasis_Shell&amp;quot; (version 0.2).">GaussianBasis_Shell_impl</a>
<a name="l00052"></a>00052   <span class="comment">// DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Shell._inherits)</span>
<a name="l00053"></a>00053 
<a name="l00064"></a>00064   <span class="comment">// Put additional inheritance here...</span>
<a name="l00065"></a>00065   <span class="comment">// DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Shell._inherits)</span>
<a name="l00066"></a>00066   {
<a name="l00067"></a>00067 
<a name="l00068"></a>00068   <span class="keyword">private</span>:
<a name="l00069"></a>00069     <span class="comment">// Pointer back to IOR.</span>
<a name="l00070"></a>00070     <span class="comment">// Use this to dispatch back through IOR vtable.</span>
<a name="l00071"></a>00071     GaussianBasis_Shell <span class="keyword">self</span>;
<a name="l00072"></a>00072 
<a name="l00073"></a>00073     <span class="comment">// DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Shell._implementation)</span>
<a name="l00074"></a>00074    
<a name="l00075"></a>00075     <a class="code" href="classsc_1_1GaussianShell.html" title="A Gaussian orbital shell.">GaussianShell</a> *shell_ptr_;
<a name="l00076"></a>00076     <a class="code" href="classsc_1_1Ref.html">Ref&lt;GaussianShell&gt;</a> sc_shell_;
<a name="l00077"></a>00077     AngularType angular_type_;
<a name="l00078"></a>00078     <span class="keywordtype">int</span> max_am_;
<a name="l00079"></a>00079     
<a name="l00080"></a>00080     <span class="comment">// DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Shell._implementation)</span>
<a name="l00081"></a>00081 
<a name="l00082"></a>00082   <span class="keyword">private</span>:
<a name="l00083"></a>00083     <span class="comment">// private default constructor (required)</span>
<a name="l00084"></a>00084     <a class="code" href="classMPQC_1_1GaussianBasis__Shell__impl.html" title="Symbol &amp;quot;MPQC.GaussianBasis_Shell&amp;quot; (version 0.2).">GaussianBasis_Shell_impl</a>() 
<a name="l00085"></a>00085     {} 
<a name="l00086"></a>00086 
<a name="l00087"></a>00087   <span class="keyword">public</span>:
<a name="l00088"></a>00088     <span class="comment">// sidl constructor (required)</span>
<a name="l00089"></a>00089     <span class="comment">// Note: alternate Skel constructor doesn't call addref()</span>
<a name="l00090"></a>00090     <span class="comment">// (fixes bug #275)</span>
<a name="l00091"></a>00091     <a class="code" href="classMPQC_1_1GaussianBasis__Shell__impl.html" title="Symbol &amp;quot;MPQC.GaussianBasis_Shell&amp;quot; (version 0.2).">GaussianBasis_Shell_impl</a>( <span class="keyword">struct</span> MPQC_GaussianBasis_Shell__object * s ) : 
<a name="l00092"></a>00092       <span class="keyword">self</span>(s,<span class="keyword">true</span>) { _ctor(); }
<a name="l00093"></a>00093 
<a name="l00094"></a>00094     <span class="comment">// user defined construction</span>
<a name="l00095"></a>00095     <span class="keywordtype">void</span> _ctor();
<a name="l00096"></a>00096 
<a name="l00097"></a>00097     <span class="comment">// virtual destructor (required)</span>
<a name="l00098"></a>00098     <span class="keyword">virtual</span> ~<a class="code" href="classMPQC_1_1GaussianBasis__Shell__impl.html" title="Symbol &amp;quot;MPQC.GaussianBasis_Shell&amp;quot; (version 0.2).">GaussianBasis_Shell_impl</a>() { _dtor(); }
<a name="l00099"></a>00099 
<a name="l00100"></a>00100     <span class="comment">// user defined destruction</span>
<a name="l00101"></a>00101     <span class="keywordtype">void</span> _dtor();
<a name="l00102"></a>00102 
<a name="l00103"></a>00103     <span class="comment">// static class initializer</span>
<a name="l00104"></a>00104     <span class="keyword">static</span> <span class="keywordtype">void</span> _load();
<a name="l00105"></a>00105 
<a name="l00106"></a>00106   <span class="keyword">public</span>:
<a name="l00107"></a>00107 
<a name="l00111"></a>00111     <span class="keywordtype">void</span>
<a name="l00112"></a>00112     <a class="code" href="classMPQC_1_1GaussianBasis__Shell__impl.html#0dcb9fb53e6205ad3abb3ca750dba1b7" title="user defined non-static method.">initialize</a> (
<a name="l00113"></a>00113       <span class="comment">/* in */</span> <span class="keywordtype">void</span>* scshell
<a name="l00114"></a>00114     )
<a name="l00115"></a>00115     <span class="keywordflow">throw</span> () 
<a name="l00116"></a>00116     ;
<a name="l00117"></a>00117 
<a name="l00118"></a>00118 
<a name="l00123"></a>00123     int64_t
<a name="l00124"></a>00124     <a class="code" href="classMPQC_1_1GaussianBasis__Shell__impl.html#da52d5baa282a9c642176f54b7420631" title="Get the number of contractions in the shell.">get_n_contraction</a>() <span class="keywordflow">throw</span> () 
<a name="l00125"></a>00125     ;
<a name="l00126"></a>00126 
<a name="l00131"></a>00131     int64_t
<a name="l00132"></a>00132     <a class="code" href="classMPQC_1_1GaussianBasis__Shell__impl.html#4278ced81790e8b2564a6f9f90c2551e" title="Get the number of primitives in the shell.">get_n_primitive</a>() <span class="keywordflow">throw</span> () 
<a name="l00133"></a>00133     ;
<a name="l00134"></a>00134 
<a name="l00141"></a>00141     <span class="keywordtype">double</span>
<a name="l00142"></a>00142     <a class="code" href="classMPQC_1_1GaussianBasis__Shell__impl.html#cf8c06781b4ebabe24e986994bed3a8e" title="Get the coefficient for an unnormalized primitive in a contraction.">get_contraction_coef</a> (
<a name="l00143"></a>00143       <span class="comment">/* in */</span> int64_t connum,
<a name="l00144"></a>00144       <span class="comment">/* in */</span> int64_t expnum
<a name="l00145"></a>00145     )
<a name="l00146"></a>00146     <span class="keywordflow">throw</span> () 
<a name="l00147"></a>00147     ;
<a name="l00148"></a>00148 
<a name="l00149"></a>00149 
<a name="l00155"></a>00155     <span class="keywordtype">double</span>
<a name="l00156"></a>00156     <a class="code" href="classMPQC_1_1GaussianBasis__Shell__impl.html#74061b928839e7ef6e723335d9df9a75" title="Get the exponent for a primitive.">get_exponent</a> (
<a name="l00157"></a>00157       <span class="comment">/* in */</span> int64_t expnum
<a name="l00158"></a>00158     )
<a name="l00159"></a>00159     <span class="keywordflow">throw</span> () 
<a name="l00160"></a>00160     ;
<a name="l00161"></a>00161 
<a name="l00162"></a>00162 
<a name="l00168"></a>00168     int64_t
<a name="l00169"></a>00169     <a class="code" href="classMPQC_1_1GaussianBasis__Shell__impl.html#af6291521d692c6ae48f830558d3fe77" title="Get the angular momentum for a single contraction.">get_angular_momentum</a> (
<a name="l00170"></a>00170       <span class="comment">/* in */</span> int64_t connum
<a name="l00171"></a>00171     )
<a name="l00172"></a>00172     <span class="keywordflow">throw</span> () 
<a name="l00173"></a>00173     ;
<a name="l00174"></a>00174 
<a name="l00175"></a>00175 
<a name="l00180"></a>00180     int64_t
<a name="l00181"></a>00181     <a class="code" href="classMPQC_1_1GaussianBasis__Shell__impl.html#574faa32ab5a52e31a64116d4baa9772" title="Get the max angular momentum of any contraction in the shell.">get_max_angular_momentum</a>() <span class="keywordflow">throw</span> () 
<a name="l00182"></a>00182     ;
<a name="l00183"></a>00183 
<a name="l00189"></a>00189     ::Chemistry::QC::GaussianBasis::AngularType
<a name="l00190"></a>00190     <a class="code" href="classMPQC_1_1GaussianBasis__Shell__impl.html#5329db9ccae67572d61321acaf2abc4c" title="Get the angular type for a single contraction.">get_contraction_angular_type</a> (
<a name="l00191"></a>00191       <span class="comment">/* in */</span> int64_t connum
<a name="l00192"></a>00192     )
<a name="l00193"></a>00193     <span class="keywordflow">throw</span> () 
<a name="l00194"></a>00194     ;
<a name="l00195"></a>00195 
<a name="l00196"></a>00196 
<a name="l00201"></a>00201     ::Chemistry::QC::GaussianBasis::AngularType
<a name="l00202"></a>00202     <a class="code" href="classMPQC_1_1GaussianBasis__Shell__impl.html#122b75d8548c954c6b2acea308a873b8" title="Get the angular type for the shell.">get_angular_type</a>() <span class="keywordflow">throw</span> () 
<a name="l00203"></a>00203     ;
<a name="l00204"></a>00204 
<a name="l00208"></a>00208     <span class="keywordtype">void</span>
<a name="l00209"></a>00209     <a class="code" href="classMPQC_1_1GaussianBasis__Shell__impl.html#35e2ff824088e17982cf161fbd0c1cd4" title="Print the shell data.">print_shell</a>() <span class="keywordflow">throw</span> () 
<a name="l00210"></a>00210     ;
<a name="l00211"></a>00211   };  <span class="comment">// end class GaussianBasis_Shell_impl</span>
<a name="l00212"></a>00212 
<a name="l00213"></a>00213 } <span class="comment">// end namespace MPQC</span>
<a name="l00214"></a>00214 
<a name="l00215"></a>00215 <span class="comment">// DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Shell._misc)</span>
<a name="l00216"></a>00216 <span class="comment">// Put miscellaneous things here...</span>
<a name="l00217"></a>00217 <span class="comment">// DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Shell._misc)</span>
<a name="l00218"></a>00218 
<a name="l00219"></a>00219 <span class="preprocessor">#endif</span>
</pre></div></div>
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