MPQC_IntegralEvaluatorFactory_Impl.hh

// 
// File:          MPQC_IntegralEvaluatorFactory_Impl.hh
// Symbol:        MPQC.IntegralEvaluatorFactory-v0.2
// Symbol Type:   class
// Babel Version: 0.10.2
// Description:   Server-side implementation for MPQC.IntegralEvaluatorFactory
// 
// WARNING: Automatically generated; only changes within splicers preserved
// 
// babel-version = 0.10.2
// 
 
#ifndef included_MPQC_IntegralEvaluatorFactory_Impl_hh
#define included_MPQC_IntegralEvaluatorFactory_Impl_hh
 
#ifndef included_sidl_cxx_hh
#include "sidl_cxx.hh"
#endif
#ifndef included_MPQC_IntegralEvaluatorFactory_IOR_h
#include "MPQC_IntegralEvaluatorFactory_IOR.h"
#endif
// 
// Includes for all method dependencies.
// 
#ifndef included_Chemistry_Molecule_hh
#include "Chemistry_Molecule.hh"
#endif
#ifndef included_Chemistry_QC_GaussianBasis_ContractionTransform_hh
#include "Chemistry_QC_GaussianBasis_ContractionTransform.hh"
#endif
#ifndef included_Chemistry_QC_GaussianBasis_DerivCenters_hh
#include "Chemistry_QC_GaussianBasis_DerivCenters.hh"
#endif
#ifndef included_Chemistry_QC_GaussianBasis_IntegralEvaluator2_hh
#include "Chemistry_QC_GaussianBasis_IntegralEvaluator2.hh"
#endif
#ifndef included_Chemistry_QC_GaussianBasis_IntegralEvaluator3_hh
#include "Chemistry_QC_GaussianBasis_IntegralEvaluator3.hh"
#endif
#ifndef included_Chemistry_QC_GaussianBasis_IntegralEvaluator4_hh
#include "Chemistry_QC_GaussianBasis_IntegralEvaluator4.hh"
#endif
#ifndef included_Chemistry_QC_GaussianBasis_Molecular_hh
#include "Chemistry_QC_GaussianBasis_Molecular.hh"
#endif
#ifndef included_MPQC_IntegralEvaluatorFactory_hh
#include "MPQC_IntegralEvaluatorFactory.hh"
#endif
#ifndef included_gov_cca_CCAException_hh
#include "gov_cca_CCAException.hh"
#endif
#ifndef included_gov_cca_Services_hh
#include "gov_cca_Services.hh"
#endif
#ifndef included_sidl_BaseInterface_hh
#include "sidl_BaseInterface.hh"
#endif
#ifndef included_sidl_ClassInfo_hh
#include "sidl_ClassInfo.hh"
#endif
 
 
// DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluatorFactory._includes)
#include <chemistry/qc/basis/gaussbas.h>
#include "cca.h"
#include "dc/babel/babel-cca/server/ccaffeine_TypeMap.hh"
#include "dc/babel/babel-cca/server/ccaffeine_ports_PortTranslator.hh"
#include "util/IO.h"
#include "jc++/jc++.h"
#include "jc++/util/jc++util.h"
#include "parameters/parametersStar.h"
#include "port/portInterfaces.h"
#include "port/supportInterfaces.h"
// DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluatorFactory._includes)
 
namespace MPQC { 
 
  class IntegralEvaluatorFactory_impl
  // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluatorFactory._inherits)
 
  // Put additional inheritance here...
  // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluatorFactory._inherits)
  {
 
  private:
    // Pointer back to IOR.
    // Use this to dispatch back through IOR vtable.
    IntegralEvaluatorFactory self;
 
    // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluatorFactory._implementation)
    gov::cca::Services services_;
    Chemistry::Molecule molecule_;
    StringParameter *package_param_;
    ConfigurableParameterPort* setup_parameters(
      ConfigurableParameterFactory *cpf);
    std::string package_;
    // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluatorFactory._implementation)
 
  private:
    // private default constructor (required)
    IntegralEvaluatorFactory_impl() 
    {} 
 
  public:
    // sidl constructor (required)
    // Note: alternate Skel constructor doesn't call addref()
    // (fixes bug #275)
    IntegralEvaluatorFactory_impl( struct MPQC_IntegralEvaluatorFactory__object 
      * s ) : self(s,true) { _ctor(); }
 
    // user defined construction
    void _ctor();
 
    // virtual destructor (required)
    virtual ~IntegralEvaluatorFactory_impl() { _dtor(); }
 
    // user defined destruction
    void _dtor();
 
    // static class initializer
    static void _load();
 
  public:
 
 
    void
    setServices (
      /* in */ ::gov::cca::Services services
    )
    throw ( 
      ::gov::cca::CCAException
    );
 
 
    void
    set_molecular (
      /* in */ ::Chemistry::QC::GaussianBasis::Molecular molbasis
    )
    throw () 
    ;
 
 
    ::Chemistry::QC::GaussianBasis::Molecular
    get_molecular() throw () 
    ;
 
    void
    set_molecule (
      /* in */ ::Chemistry::Molecule mol
    )
    throw () 
    ;
 
 
    ::Chemistry::Molecule
    get_molecule() throw () 
    ;
 
    void
    set_integral_package (
      /* in */ const ::std::string& label
    )
    throw () 
    ;
 
 
    ::Chemistry::QC::GaussianBasis::IntegralEvaluator2
    get_integral_evaluator2 (
      /* in */ const ::std::string& label,
      /* in */ int64_t max_deriv,
      /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs1,
      /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs2
    )
    throw () 
    ;
 
 
    ::Chemistry::QC::GaussianBasis::IntegralEvaluator2
    get_nuclear_evaluator (
      /* in */ int64_t max_deriv,
      /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs1,
      /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs2,
      /* in */ ::Chemistry::QC::GaussianBasis::DerivCenters dc
    )
    throw () 
    ;
 
 
    ::Chemistry::QC::GaussianBasis::IntegralEvaluator2
    get_hcore_evaluator (
      /* in */ int64_t max_deriv,
      /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs1,
      /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs2,
      /* in */ ::Chemistry::QC::GaussianBasis::DerivCenters dc
    )
    throw () 
    ;
 
 
    ::Chemistry::QC::GaussianBasis::IntegralEvaluator3
    get_integral_evaluator3 (
      /* in */ const ::std::string& label,
      /* in */ int64_t max_deriv,
      /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs1,
      /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs2,
      /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs3
    )
    throw () 
    ;
 
 
    ::Chemistry::QC::GaussianBasis::IntegralEvaluator4
    get_integral_evaluator4 (
      /* in */ const ::std::string& label,
      /* in */ int64_t max_deriv,
      /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs1,
      /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs2,
      /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs3,
      /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs4
    )
    throw () 
    ;
 
 
    ::Chemistry::QC::GaussianBasis::ContractionTransform
    get_contraction_transform() throw () 
    ;
  };  // end class IntegralEvaluatorFactory_impl
 
} // end namespace MPQC
 
// DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluatorFactory._misc)
// Put miscellaneous things here...
// DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluatorFactory._misc)
 
#endif