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# MPQC_IntegralEvaluator3_Impl.hh

    00001 //
    00002 // File:          MPQC_IntegralEvaluator3_Impl.hh
    00003 // Symbol:        MPQC.IntegralEvaluator3-v0.2
    00004 // Symbol Type:   class
    00005 // Babel Version: 0.10.2
    00006 // Description:   Server-side implementation for MPQC.IntegralEvaluator3
    00007 //
    00008 // WARNING: Automatically generated; only changes within splicers preserved
    00009 //
    00010 // babel-version = 0.10.2
    00011 //
    00012
    00013 #ifndef included_MPQC_IntegralEvaluator3_Impl_hh
    00014 #define included_MPQC_IntegralEvaluator3_Impl_hh
    00015
    00016 #ifndef included_sidl_cxx_hh
    00017 #include "sidl_cxx.hh"
    00018 #endif
    00019 #ifndef included_MPQC_IntegralEvaluator3_IOR_h
    00020 #include "MPQC_IntegralEvaluator3_IOR.h"
    00021 #endif
    00022 //
    00023 // Includes for all method dependencies.
    00024 //
    00025 #ifndef included_Chemistry_QC_GaussianBasis_DerivCenters_hh
    00026 #include "Chemistry_QC_GaussianBasis_DerivCenters.hh"
    00027 #endif
    00028 #ifndef included_Chemistry_QC_GaussianBasis_Molecular_hh
    00029 #include "Chemistry_QC_GaussianBasis_Molecular.hh"
    00030 #endif
    00031 #ifndef included_MPQC_IntegralEvaluator3_hh
    00032 #include "MPQC_IntegralEvaluator3.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.IntegralEvaluator3._includes)
    00043 // Put additional includes or other arbitrary code here...
    00044 // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._includes)
    00045
    00046 namespace MPQC {
    00047
    00051   class IntegralEvaluator3_impl
    00052   // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._inherits)
    00053
    00064   // Put additional inheritance here...
    00065   // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._inherits)
    00066   {
    00067
    00068   private:
    00069     // Pointer back to IOR.
    00070     // Use this to dispatch back through IOR vtable.
    00071     IntegralEvaluator3 self;
    00072
    00073     // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._implementation)
    00074     // Put additional implementation details here...
    00075     // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._implementation)
    00076
    00077   private:
    00078     // private default constructor (required)
    00079     IntegralEvaluator3_impl()
    00080     {}
    00081
    00082   public:
    00083     // sidl constructor (required)
    00084     // Note: alternate Skel constructor doesn't call addref()
    00085     // (fixes bug #275)
    00086     IntegralEvaluator3_impl( struct MPQC_IntegralEvaluator3__object * s ) :
    00087       self(s,true) { _ctor(); }
    00088
    00089     // user defined construction
    00090     void _ctor();
    00091
    00092     // virtual destructor (required)
    00093     virtual ~IntegralEvaluator3_impl() { _dtor(); }
    00094
    00095     // user defined destruction
    00096     void _dtor();
    00097
    00098     // static class initializer
    00099     static void _load();
    00100
    00101   public:
    00102
    00106     void
    00107     set_integral_package (
    00108       /* in */ const ::std::string& label
    00109     )
    00110     throw ()
    00111     ;
    00112
    00113
    00122     void
    00123     initialize (
    00124       /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs1,
    00125       /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs2,
    00126       /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs3,
    00127       /* in */ const ::std::string& label,
    00128       /* in */ int64_t max_deriv
    00129     )
    00130     throw ()
    00131     ;
    00132
    00133
    00138     void*
    00139     get_buffer() throw ()
    00140     ;
    00141
    00150     void
    00151     compute (
    00152       /* in */ int64_t shellnum1,
    00153       /* in */ int64_t shellnum2,
    00154       /* in */ int64_t shellnum3,
    00155       /* in */ int64_t deriv_level,
    00156       /* in */ ::Chemistry::QC::GaussianBasis::DerivCenters deriv_ctr
    00157     )
    00158     throw ()
    00159     ;
    00160
    00161
    00172     ::sidl::array<double>
    00173     compute_array (
    00174       /* in */ int64_t shellnum1,
    00175       /* in */ int64_t shellnum2,
    00176       /* in */ int64_t shellnum3,
    00177       /* in */ int64_t deriv_level,
    00178       /* in */ ::Chemistry::QC::GaussianBasis::DerivCenters deriv_ctr
    00179     )
    00180     throw ()
    00181     ;
    00182
    00183   };  // end class IntegralEvaluator3_impl
    00184
    00185 } // end namespace MPQC
    00186
    00187 // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._misc)
    00188 // Put miscellaneous things here...
    00189 // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._misc)
    00190
    00191 #endif