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