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# MPQC_GaussianBasis_Shell_Impl.hh

    00001 //
    00002 // File:          MPQC_GaussianBasis_Shell_Impl.hh
    00003 // Symbol:        MPQC.GaussianBasis_Shell-v0.2
    00004 // Symbol Type:   class
    00005 // Babel Version: 0.10.2
    00006 // Description:   Server-side implementation for MPQC.GaussianBasis_Shell
    00007 //
    00008 // WARNING: Automatically generated; only changes within splicers preserved
    00009 //
    00010 // babel-version = 0.10.2
    00011 //
    00012
    00013 #ifndef included_MPQC_GaussianBasis_Shell_Impl_hh
    00014 #define included_MPQC_GaussianBasis_Shell_Impl_hh
    00015
    00016 #ifndef included_sidl_cxx_hh
    00017 #include "sidl_cxx.hh"
    00018 #endif
    00019 #ifndef included_MPQC_GaussianBasis_Shell_IOR_h
    00020 #include "MPQC_GaussianBasis_Shell_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_MPQC_GaussianBasis_Shell_hh
    00029 #include "MPQC_GaussianBasis_Shell.hh"
    00030 #endif
    00031 #ifndef included_sidl_BaseInterface_hh
    00032 #include "sidl_BaseInterface.hh"
    00033 #endif
    00034 #ifndef included_sidl_ClassInfo_hh
    00035 #include "sidl_ClassInfo.hh"
    00036 #endif
    00037
    00038
    00039 // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Shell._includes)
    00040 #include <chemistry/qc/basis/basis.h>
    00041 using namespace std;
    00042 using namespace Chemistry::QC::GaussianBasis;
    00043 using namespace sc;
    00044 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Shell._includes)
    00045
    00046 namespace MPQC {
    00047
    00051   class GaussianBasis_Shell_impl
    00052   // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Shell._inherits)
    00053
    00064   // Put additional inheritance here...
    00065   // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Shell._inherits)
    00066   {
    00067
    00068   private:
    00069     // Pointer back to IOR.
    00070     // Use this to dispatch back through IOR vtable.
    00071     GaussianBasis_Shell self;
    00072
    00073     // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Shell._implementation)
    00074
    00075     GaussianShell *shell_ptr_;
    00076     Ref<GaussianShell> sc_shell_;
    00077     AngularType angular_type_;
    00078     int max_am_;
    00079
    00080     // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Shell._implementation)
    00081
    00082   private:
    00083     // private default constructor (required)
    00084     GaussianBasis_Shell_impl()
    00085     {}
    00086
    00087   public:
    00088     // sidl constructor (required)
    00089     // Note: alternate Skel constructor doesn't call addref()
    00090     // (fixes bug #275)
    00091     GaussianBasis_Shell_impl( struct MPQC_GaussianBasis_Shell__object * s ) :
    00092       self(s,true) { _ctor(); }
    00093
    00094     // user defined construction
    00095     void _ctor();
    00096
    00097     // virtual destructor (required)
    00098     virtual ~GaussianBasis_Shell_impl() { _dtor(); }
    00099
    00100     // user defined destruction
    00101     void _dtor();
    00102
    00103     // static class initializer
    00104     static void _load();
    00105
    00106   public:
    00107
    00111     void
    00112     initialize (
    00113       /* in */ void* scshell
    00114     )
    00115     throw ()
    00116     ;
    00117
    00118
    00123     int64_t
    00124     get_n_contraction() throw ()
    00125     ;
    00126
    00131     int64_t
    00132     get_n_primitive() throw ()
    00133     ;
    00134
    00141     double
    00142     get_contraction_coef (
    00143       /* in */ int64_t connum,
    00144       /* in */ int64_t expnum
    00145     )
    00146     throw ()
    00147     ;
    00148
    00149
    00155     double
    00156     get_exponent (
    00157       /* in */ int64_t expnum
    00158     )
    00159     throw ()
    00160     ;
    00161
    00162
    00168     int64_t
    00169     get_angular_momentum (
    00170       /* in */ int64_t connum
    00171     )
    00172     throw ()
    00173     ;
    00174
    00175
    00180     int64_t
    00181     get_max_angular_momentum() throw ()
    00182     ;
    00183
    00189     ::Chemistry::QC::GaussianBasis::AngularType
    00190     get_contraction_angular_type (
    00191       /* in */ int64_t connum
    00192     )
    00193     throw ()
    00194     ;
    00195
    00196
    00201     ::Chemistry::QC::GaussianBasis::AngularType
    00202     get_angular_type() throw ()
    00203     ;
    00204
    00208     void
    00209     print_shell() throw ()
    00210     ;
    00211   };  // end class GaussianBasis_Shell_impl
    00212
    00213 } // end namespace MPQC
    00214
    00215 // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Shell._misc)
    00216 // Put miscellaneous things here...
    00217 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Shell._misc)
    00218
    00219 #endif