MPQC_GaussianBasis_Atomic_Impl.hh

00001 // 
00002 // File:          MPQC_GaussianBasis_Atomic_Impl.hh
00003 // Symbol:        MPQC.GaussianBasis_Atomic-v0.2
00004 // Symbol Type:   class
00005 // Babel Version: 0.10.2
00006 // Description:   Server-side implementation for MPQC.GaussianBasis_Atomic
00007 // 
00008 // WARNING: Automatically generated; only changes within splicers preserved
00009 // 
00010 // babel-version = 0.10.2
00011 // 
00012 
00013 #ifndef included_MPQC_GaussianBasis_Atomic_Impl_hh
00014 #define included_MPQC_GaussianBasis_Atomic_Impl_hh
00015 
00016 #ifndef included_sidl_cxx_hh
00017 #include "sidl_cxx.hh"
00018 #endif
00019 #ifndef included_MPQC_GaussianBasis_Atomic_IOR_h
00020 #include "MPQC_GaussianBasis_Atomic_IOR.h"
00021 #endif
00022 // 
00023 // Includes for all method dependencies.
00024 // 
00025 #ifndef included_Chemistry_QC_GaussianBasis_AngularType_hh
00026 #include "Chemistry_QC_GaussianBasis_AngularType.hh"
00027 #endif
00028 #ifndef included_Chemistry_QC_GaussianBasis_Shell_hh
00029 #include "Chemistry_QC_GaussianBasis_Shell.hh"
00030 #endif
00031 #ifndef included_MPQC_GaussianBasis_Atomic_hh
00032 #include "MPQC_GaussianBasis_Atomic.hh"
00033 #endif
00034 #ifndef included_sidl_BaseInterface_hh
00035 #include "sidl_BaseInterface.hh"
00036 #endif
00037 #ifndef included_sidl_ClassInfo_hh
00038 #include "sidl_ClassInfo.hh"
00039 #endif
00040 
00041 
00042 // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Atomic._includes)
00043 #include <chemistry/qc/basis/basis.h>
00044 #include <MPQC_GaussianBasis_Shell.hh>
00045 using namespace std;
00046 using namespace Chemistry::QC::GaussianBasis;
00047 using namespace sc;
00048 using namespace MPQC;
00049 // Put additional includes or other arbitrary code here...
00050 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Atomic._includes)
00051 
00052 namespace MPQC { 
00053 
00057   class GaussianBasis_Atomic_impl
00058   // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Atomic._inherits)
00059 
00070   // Put additional inheritance here...
00071   // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Atomic._inherits)
00072   {
00073 
00074   private:
00075     // Pointer back to IOR.
00076     // Use this to dispatch back through IOR vtable.
00077     GaussianBasis_Atomic self;
00078 
00079     // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Atomic._implementation)
00080     
00081     GaussianBasisSet *gbs_ptr_;
00082     Ref<GaussianBasisSet> sc_gbs_;
00083     int atomnum_;
00084     int nshell_;
00085     int max_am_;
00086     GaussianBasis_Shell *shell_array_;
00087     AngularType angular_type_;
00088 
00089     // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Atomic._implementation)
00090 
00091   private:
00092     // private default constructor (required)
00093     GaussianBasis_Atomic_impl() 
00094     {} 
00095 
00096   public:
00097     // sidl constructor (required)
00098     // Note: alternate Skel constructor doesn't call addref()
00099     // (fixes bug #275)
00100     GaussianBasis_Atomic_impl( struct MPQC_GaussianBasis_Atomic__object * s ) : 
00101       self(s,true) { _ctor(); }
00102 
00103     // user defined construction
00104     void _ctor();
00105 
00106     // virtual destructor (required)
00107     virtual ~GaussianBasis_Atomic_impl() { _dtor(); }
00108 
00109     // user defined destruction
00110     void _dtor();
00111 
00112     // static class initializer
00113     static void _load();
00114 
00115   public:
00116 
00120     void
00121     initialize (
00122       /* in */ void* scbasis,
00123       /* in */ int32_t atomnum
00124     )
00125     throw () 
00126     ;
00127 
00128 
00133     ::std::string
00134     get_name() throw () 
00135     ;
00136 
00141     int64_t
00142     get_n_basis() throw () 
00143     ;
00144 
00149     int64_t
00150     get_n_shell() throw () 
00151     ;
00152 
00157     int64_t
00158     get_max_angular_momentum() throw () 
00159     ;
00160 
00165     ::Chemistry::QC::GaussianBasis::AngularType
00166     get_angular_type() throw () 
00167     ;
00168 
00174     ::Chemistry::QC::GaussianBasis::Shell
00175     get_shell (
00176       /* in */ int64_t shellnum
00177     )
00178     throw () 
00179     ;
00180 
00181 
00185     void
00186     print_atomic() throw () 
00187     ;
00188   };  // end class GaussianBasis_Atomic_impl
00189 
00190 } // end namespace MPQC
00191 
00192 // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Atomic._misc)
00193 // Put miscellaneous things here...
00194 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Atomic._misc)
00195 
00196 #endif

Generated at Mon Dec 3 23:23:39 2007 for MPQC 2.3.1 using the documentation package Doxygen 1.5.2.