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# 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