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