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00013 #ifndef included_MPQC_SimpleDriver_Impl_hh
00014 #define included_MPQC_SimpleDriver_Impl_hh
00015
00016 #ifndef included_sidl_cxx_hh
00017 #include "sidl_cxx.hh"
00018 #endif
00019 #ifndef included_MPQC_SimpleDriver_IOR_h
00020 #include "MPQC_SimpleDriver_IOR.h"
00021 #endif
00022
00023
00024
00025 #ifndef included_MPQC_SimpleDriver_hh
00026 #include "MPQC_SimpleDriver.hh"
00027 #endif
00028 #ifndef included_gov_cca_CCAException_hh
00029 #include "gov_cca_CCAException.hh"
00030 #endif
00031 #ifndef included_gov_cca_Services_hh
00032 #include "gov_cca_Services.hh"
00033 #endif
00034 #ifndef included_sidl_BaseInterface_hh
00035 #include "sidl_BaseInterface.hh"
00036 #endif
00037 #ifndef included_sidl_ClassInfo_hh
00038 #include "sidl_ClassInfo.hh"
00039 #endif
00040
00041
00042
00043 #include "Chemistry_QC_ModelFactory.hh"
00044 #include "Chemistry_QC_Model.hh"
00045 #include "Chemistry_Molecule.hh"
00046 #include "dc/babel/babel-cca/server/ccaffeine_TypeMap.hh"
00047 #include "dc/babel/babel-cca/server/ccaffeine_ports_PortTranslator.hh"
00048 #include "cca.h"
00049 #include "util/IO.h"
00050 #include "jc++/jc++.h"
00051 #include "jc++/util/jc++util.h"
00052 #include "parameters/parametersStar.h"
00053 #include "port/portInterfaces.h"
00054 #include "port/supportInterfaces.h"
00055
00056
00057 namespace MPQC {
00058
00062 class SimpleDriver_impl
00063
00064
00065
00066 {
00067
00068 private:
00069
00070
00071 SimpleDriver self;
00072
00073
00074
00075 gov::cca::Services services_;
00076 Chemistry::QC::ModelFactory factory_;
00077 Chemistry::QC::Model model_;
00078 Chemistry::Molecule molecule_;
00079 BoolParameter *grad_param_;
00080 bool do_grad_;
00081
00082 ConfigurableParameterPort*
00083 setup_parameters(ConfigurableParameterFactory *);
00084
00085
00086
00087 private:
00088
00089 SimpleDriver_impl()
00090 {}
00091
00092 public:
00093
00094
00095
00096 SimpleDriver_impl( struct MPQC_SimpleDriver__object * s ) : self(s,
00097 true) { _ctor(); }
00098
00099
00100 void _ctor();
00101
00102
00103 virtual ~SimpleDriver_impl() { _dtor(); }
00104
00105
00106 void _dtor();
00107
00108
00109 static void _load();
00110
00111 public:
00112
00113
00131 void
00132 setServices (
00133 ::gov::cca::Services services
00134 )
00135 throw (
00136 ::gov::cca::CCAException
00137 );
00138
00139
00146 int32_t
00147 go() throw ()
00148 ;
00149 };
00150
00151 }
00152
00153
00154
00155
00156
00157 #endif