MPQC_Chemistry_QC_ModelFactory_Impl.hh

// 
// File:          MPQC_Chemistry_QC_ModelFactory_Impl.hh
// Symbol:        MPQC.Chemistry_QC_ModelFactory-v0.2
// Symbol Type:   class
// Babel Version: 0.10.2
// Description:   Server-side implementation for MPQC.Chemistry_QC_ModelFactory
// 
// WARNING: Automatically generated; only changes within splicers preserved
// 
// babel-version = 0.10.2
// 
 
#ifndef included_MPQC_Chemistry_QC_ModelFactory_Impl_hh
#define included_MPQC_Chemistry_QC_ModelFactory_Impl_hh
 
#ifndef included_sidl_cxx_hh
#include "sidl_cxx.hh"
#endif
#ifndef included_MPQC_Chemistry_QC_ModelFactory_IOR_h
#include "MPQC_Chemistry_QC_ModelFactory_IOR.h"
#endif
// 
// Includes for all method dependencies.
// 
#ifndef included_Chemistry_Molecule_hh
#include "Chemistry_Molecule.hh"
#endif
#ifndef included_Chemistry_QC_GaussianBasis_IntegralEvaluatorFactory_hh
#include "Chemistry_QC_GaussianBasis_IntegralEvaluatorFactory.hh"
#endif
#ifndef included_Chemistry_QC_Model_hh
#include "Chemistry_QC_Model.hh"
#endif
#ifndef included_MPQC_Chemistry_QC_ModelFactory_hh
#include "MPQC_Chemistry_QC_ModelFactory.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_BaseException_hh
#include "sidl_BaseException.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.Chemistry_QC_ModelFactory._includes)
 
#include <string>
#include "Chemistry_MoleculeFactory.hh"
#include <util/group/message.h>
#include <util/group/memory.h>
#include <util/group/mstate.h>
#include <util/group/thread.h>
#include <util/group/pregtime.h>
//#include <util/group/messmpi.h>
#include <chemistry/qc/intcca/intcca.h>
#include <chemistry/qc/basis/integral.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.Chemistry_QC_ModelFactory._includes)
 
namespace MPQC { 
 
  class Chemistry_QC_ModelFactory_impl
  // DO-NOT-DELETE splicer.begin(MPQC.Chemistry_QC_ModelFactory._inherits)
 
  // Put additional inheritance here...
  // DO-NOT-DELETE splicer.end(MPQC.Chemistry_QC_ModelFactory._inherits)
  {
 
  private:
    // Pointer back to IOR.
    // Use this to dispatch back through IOR vtable.
    Chemistry_QC_ModelFactory self;
 
    // DO-NOT-DELETE splicer.begin(MPQC.Chemistry_QC_ModelFactory._implementation)
      std::string theory_;
      std::string basis_;
      std::string molecule_filename_;
      StringParameter *theory_param_, *basis_param_, *molecule_filename_param_, 
                      *keyval_filename_param_, *integral_buffer_param_;
 
      gov::cca::Services services_;
 
      Chemistry::MoleculeFactory molecule_factory_;
      Chemistry::Molecule molecule_;
      Chemistry::QC::GaussianBasis::IntegralEvaluatorFactory eval_factory_;
 
      sc::Ref<sc::MessageGrp> grp_;
      sc::Ref<sc::ThreadGrp> thread_;
      sc::Ref<sc::MemoryGrp> memory_;
 
      sc::Ref<sc::IntegralCCA> intcca_;
 
      ConfigurableParameterPort* 
        setup_parameters(ConfigurableParameterFactory*);
 
    // DO-NOT-DELETE splicer.end(MPQC.Chemistry_QC_ModelFactory._implementation)
 
  private:
    // private default constructor (required)
    Chemistry_QC_ModelFactory_impl() 
    {} 
 
  public:
    // sidl constructor (required)
    // Note: alternate Skel constructor doesn't call addref()
    // (fixes bug #275)
    Chemistry_QC_ModelFactory_impl( struct 
      MPQC_Chemistry_QC_ModelFactory__object * s ) : self(s,true) { _ctor(); }
 
    // user defined construction
    void _ctor();
 
    // virtual destructor (required)
    virtual ~Chemistry_QC_ModelFactory_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_theory (
      /* in */ const ::std::string& theory
    )
    throw () 
    ;
 
 
    void
    set_basis (
      /* in */ const ::std::string& basis
    )
    throw () 
    ;
 
 
    void
    set_molecule (
      /* in */ ::Chemistry::Molecule molecule
    )
    throw () 
    ;
 
 
    void
    set_integral_factory (
      /* in */ ::Chemistry::QC::GaussianBasis::IntegralEvaluatorFactory intfact
    )
    throw () 
    ;
 
 
    ::Chemistry::QC::Model
    get_model() throw ( 
      ::sidl::BaseException
    );
 
    int32_t
    finalize() throw () 
    ;
  };  // end class Chemistry_QC_ModelFactory_impl
 
} // end namespace MPQC
 
// DO-NOT-DELETE splicer.begin(MPQC.Chemistry_QC_ModelFactory._misc)
// Put miscellaneous things here...
// DO-NOT-DELETE splicer.end(MPQC.Chemistry_QC_ModelFactory._misc)
 
#endif