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# MPQC_IntegralEvaluatorFactory_Impl.hh

    00001 //
    00002 // File:          MPQC_IntegralEvaluatorFactory_Impl.hh
    00003 // Symbol:        MPQC.IntegralEvaluatorFactory-v0.2
    00004 // Symbol Type:   class
    00005 // Babel Version: 0.10.2
    00006 // Description:   Server-side implementation for MPQC.IntegralEvaluatorFactory
    00007 //
    00008 // WARNING: Automatically generated; only changes within splicers preserved
    00009 //
    00010 // babel-version = 0.10.2
    00011 //
    00012
    00013 #ifndef included_MPQC_IntegralEvaluatorFactory_Impl_hh
    00014 #define included_MPQC_IntegralEvaluatorFactory_Impl_hh
    00015
    00016 #ifndef included_sidl_cxx_hh
    00017 #include "sidl_cxx.hh"
    00018 #endif
    00019 #ifndef included_MPQC_IntegralEvaluatorFactory_IOR_h
    00020 #include "MPQC_IntegralEvaluatorFactory_IOR.h"
    00021 #endif
    00022 //
    00023 // Includes for all method dependencies.
    00024 //
    00025 #ifndef included_Chemistry_Molecule_hh
    00026 #include "Chemistry_Molecule.hh"
    00027 #endif
    00028 #ifndef included_Chemistry_QC_GaussianBasis_ContractionTransform_hh
    00029 #include "Chemistry_QC_GaussianBasis_ContractionTransform.hh"
    00030 #endif
    00031 #ifndef included_Chemistry_QC_GaussianBasis_DerivCenters_hh
    00032 #include "Chemistry_QC_GaussianBasis_DerivCenters.hh"
    00033 #endif
    00034 #ifndef included_Chemistry_QC_GaussianBasis_IntegralEvaluator2_hh
    00035 #include "Chemistry_QC_GaussianBasis_IntegralEvaluator2.hh"
    00036 #endif
    00037 #ifndef included_Chemistry_QC_GaussianBasis_IntegralEvaluator3_hh
    00038 #include "Chemistry_QC_GaussianBasis_IntegralEvaluator3.hh"
    00039 #endif
    00040 #ifndef included_Chemistry_QC_GaussianBasis_IntegralEvaluator4_hh
    00041 #include "Chemistry_QC_GaussianBasis_IntegralEvaluator4.hh"
    00042 #endif
    00043 #ifndef included_Chemistry_QC_GaussianBasis_Molecular_hh
    00044 #include "Chemistry_QC_GaussianBasis_Molecular.hh"
    00045 #endif
    00046 #ifndef included_MPQC_IntegralEvaluatorFactory_hh
    00047 #include "MPQC_IntegralEvaluatorFactory.hh"
    00048 #endif
    00049 #ifndef included_gov_cca_CCAException_hh
    00050 #include "gov_cca_CCAException.hh"
    00051 #endif
    00052 #ifndef included_gov_cca_Services_hh
    00053 #include "gov_cca_Services.hh"
    00054 #endif
    00055 #ifndef included_sidl_BaseInterface_hh
    00056 #include "sidl_BaseInterface.hh"
    00057 #endif
    00058 #ifndef included_sidl_ClassInfo_hh
    00059 #include "sidl_ClassInfo.hh"
    00060 #endif
    00061
    00062
    00063 // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluatorFactory._includes)
    00064 #include <chemistry/qc/basis/gaussbas.h>
    00065 #include "cca.h"
    00066 #include "dc/babel/babel-cca/server/ccaffeine_TypeMap.hh"
    00067 #include "dc/babel/babel-cca/server/ccaffeine_ports_PortTranslator.hh"
    00068 #include "util/IO.h"
    00069 #include "jc++/jc++.h"
    00070 #include "jc++/util/jc++util.h"
    00071 #include "parameters/parametersStar.h"
    00072 #include "port/portInterfaces.h"
    00073 #include "port/supportInterfaces.h"
    00074 // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluatorFactory._includes)
    00075
    00076 namespace MPQC {
    00077
    00081   class IntegralEvaluatorFactory_impl
    00082   // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluatorFactory._inherits)
    00083
    00107   // Put additional inheritance here...
    00108   // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluatorFactory._inherits)
    00109   {
    00110
    00111   private:
    00112     // Pointer back to IOR.
    00113     // Use this to dispatch back through IOR vtable.
    00114     IntegralEvaluatorFactory self;
    00115
    00116     // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluatorFactory._implementation)
    00117     gov::cca::Services services_;
    00118     Chemistry::Molecule molecule_;
    00119     StringParameter *package_param_;
    00120     ConfigurableParameterPort* setup_parameters(
    00121       ConfigurableParameterFactory *cpf);
    00122     std::string package_;
    00123     // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluatorFactory._implementation)
    00124
    00125   private:
    00126     // private default constructor (required)
    00127     IntegralEvaluatorFactory_impl()
    00128     {}
    00129
    00130   public:
    00131     // sidl constructor (required)
    00132     // Note: alternate Skel constructor doesn't call addref()
    00133     // (fixes bug #275)
    00134     IntegralEvaluatorFactory_impl( struct MPQC_IntegralEvaluatorFactory__object
    00135       * s ) : self(s,true) { _ctor(); }
    00136
    00137     // user defined construction
    00138     void _ctor();
    00139
    00140     // virtual destructor (required)
    00141     virtual ~IntegralEvaluatorFactory_impl() { _dtor(); }
    00142
    00143     // user defined destruction
    00144     void _dtor();
    00145
    00146     // static class initializer
    00147     static void _load();
    00148
    00149   public:
    00150
    00151
    00169     void
    00170     setServices (
    00171       /* in */ ::gov::cca::Services services
    00172     )
    00173     throw (
    00174       ::gov::cca::CCAException
    00175     );
    00176
    00177
    00182     void
    00183     set_molecular (
    00184       /* in */ ::Chemistry::QC::GaussianBasis::Molecular molbasis
    00185     )
    00186     throw ()
    00187     ;
    00188
    00189
    00194     ::Chemistry::QC::GaussianBasis::Molecular
    00195     get_molecular() throw ()
    00196     ;
    00197
    00202     void
    00203     set_molecule (
    00204       /* in */ ::Chemistry::Molecule mol
    00205     )
    00206     throw ()
    00207     ;
    00208
    00209
    00214     ::Chemistry::Molecule
    00215     get_molecule() throw ()
    00216     ;
    00217
    00222     void
    00223     set_integral_package (
    00224       /* in */ const ::std::string& label
    00225     )
    00226     throw ()
    00227     ;
    00228
    00229
    00238     ::Chemistry::QC::GaussianBasis::IntegralEvaluator2
    00239     get_integral_evaluator2 (
    00240       /* in */ const ::std::string& label,
    00241       /* in */ int64_t max_deriv,
    00242       /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs1,
    00243       /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs2
    00244     )
    00245     throw ()
    00246     ;
    00247
    00248
    00258     ::Chemistry::QC::GaussianBasis::IntegralEvaluator2
    00259     get_nuclear_evaluator (
    00260       /* in */ int64_t max_deriv,
    00261       /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs1,
    00262       /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs2,
    00263       /* in */ ::Chemistry::QC::GaussianBasis::DerivCenters dc
    00264     )
    00265     throw ()
    00266     ;
    00267
    00268
    00278     ::Chemistry::QC::GaussianBasis::IntegralEvaluator2
    00279     get_hcore_evaluator (
    00280       /* in */ int64_t max_deriv,
    00281       /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs1,
    00282       /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs2,
    00283       /* in */ ::Chemistry::QC::GaussianBasis::DerivCenters dc
    00284     )
    00285     throw ()
    00286     ;
    00287
    00288
    00298     ::Chemistry::QC::GaussianBasis::IntegralEvaluator3
    00299     get_integral_evaluator3 (
    00300       /* in */ const ::std::string& label,
    00301       /* in */ int64_t max_deriv,
    00302       /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs1,
    00303       /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs2,
    00304       /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs3
    00305     )
    00306     throw ()
    00307     ;
    00308
    00309
    00320     ::Chemistry::QC::GaussianBasis::IntegralEvaluator4
    00321     get_integral_evaluator4 (
    00322       /* in */ const ::std::string& label,
    00323       /* in */ int64_t max_deriv,
    00324       /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs1,
    00325       /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs2,
    00326       /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs3,
    00327       /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs4
    00328     )
    00329     throw ()
    00330     ;
    00331
    00332
    00337     ::Chemistry::QC::GaussianBasis::ContractionTransform
    00338     get_contraction_transform() throw ()
    00339     ;
    00340   };  // end class IntegralEvaluatorFactory_impl
    00341
    00342 } // end namespace MPQC
    00343
    00344 // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluatorFactory._misc)
    00345 // Put miscellaneous things here...
    00346 // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluatorFactory._misc)
    00347
    00348 #endif