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

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