MPQC_Chemistry_Molecule_Impl.hh
//
// File: MPQC_Chemistry_Molecule_Impl.hh
// Symbol: MPQC.Chemistry_Molecule-v0.2
// Symbol Type: class
// Babel Version: 0.8.6
// Description: Server-side implementation for MPQC.Chemistry_Molecule
//
// WARNING: Automatically generated; only changes within splicers preserved
//
// babel-version = 0.8.6
//
#ifndef included_MPQC_Chemistry_Molecule_Impl_hh
#define included_MPQC_Chemistry_Molecule_Impl_hh
#ifndef included_sidl_cxx_hh
#include "sidl_cxx.hh"
#endif
#ifndef included_MPQC_Chemistry_Molecule_IOR_h
#include "MPQC_Chemistry_Molecule_IOR.h"
#endif
//
// Includes for all method dependencies.
//
#ifndef included_MPQC_Chemistry_Molecule_hh
#include "MPQC_Chemistry_Molecule.hh"
#endif
#ifndef included_Physics_PointGroup_hh
#include "Physics_PointGroup.hh"
#endif
#ifndef included_Physics_Units_hh
#include "Physics_Units.hh"
#endif
#ifndef included_sidl_BaseInterface_hh
#include "sidl_BaseInterface.hh"
#endif
#ifndef included_sidl_ClassInfo_hh
#include "sidl_ClassInfo.hh"
#endif
#ifndef included_gov_cca_Services_hh
#include "gov_cca_Services.hh"
#endif
// DO-NOT-DELETE splicer.begin(MPQC.Chemistry_Molecule._includes)
#include <chemistry/molecule/molecule.h>
// DO-NOT-DELETE splicer.end(MPQC.Chemistry_Molecule._includes)
namespace MPQC {
class Chemistry_Molecule_impl
// DO-NOT-DELETE splicer.begin(MPQC.Chemistry_Molecule._inherits)
// Put additional inheritance here...
// DO-NOT-DELETE splicer.end(MPQC.Chemistry_Molecule._inherits)
{
private:
// Pointer back to IOR.
// Use this to dispatch back through IOR vtable.
Chemistry_Molecule self;
// DO-NOT-DELETE splicer.begin(MPQC.Chemistry_Molecule._implementation)
double net_charge;
sc::Ref< sc::Molecule> mol;
// DO-NOT-DELETE splicer.end(MPQC.Chemistry_Molecule._implementation)
private:
// private default constructor (required)
Chemistry_Molecule_impl() {}
public:
// sidl constructor (required)
// Note: alternate Skel constructor doesn't call addref()
// (fixes bug #275)
Chemistry_Molecule_impl( struct MPQC_Chemistry_Molecule__object * s ) :
self(s,true) { _ctor(); }
// user defined construction
void _ctor();
// virtual destructor (required)
virtual ~Chemistry_Molecule_impl() { _dtor(); }
// user defined destruction
void _dtor();
public:
void
initialize_pointer (
/*in*/ void* ptr
)
throw ()
;
void
setServices (
/*in*/ ::gov::cca::Services services
)
throw ()
;
void
initialize (
/*in*/ int32_t natom
)
throw ()
;
::Physics::Units
get_units() throw ()
;
int64_t
get_n_atom() throw ()
;
int64_t
get_atomic_number (
/*in*/ int64_t atomnum
)
throw ()
;
void
set_atomic_number (
/*in*/ int64_t atomnum,
/*in*/ int64_t atomic_number
)
throw ()
;
double
get_net_charge() throw ()
;
void
set_net_charge (
/*in*/ double charge
)
throw ()
;
double
get_cart_coor (
/*in*/ int64_t atomnum,
/*in*/ int32_t xyz
)
throw ()
;
void
set_cart_coor (
/*in*/ int64_t atomnum,
/*in*/ int32_t xyz,
/*in*/ double val
)
throw ()
;
::std::string
get_atomic_label (
/*in*/ int64_t atomnum
)
throw ()
;
void
set_atomic_label (
/*in*/ int64_t atomnum,
/*in*/ const ::std::string& label
)
throw ()
;
::Physics::PointGroup
get_symmetry() throw ()
;
::sidl::array<double>
get_coor() throw ()
;
void
set_coor (
/*in*/ ::sidl::array<double> x
)
throw ()
;
}; // end class Chemistry_Molecule_impl
} // end namespace MPQC
// DO-NOT-DELETE splicer.begin(MPQC.Chemistry_Molecule._misc)
// Put miscellaneous things here...
// DO-NOT-DELETE splicer.end(MPQC.Chemistry_Molecule._misc)
#endif