MPQC
2.3.1
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00001 // 00002 // File: MPQC_GaussianBasis_Atomic_Impl.hh 00003 // Symbol: MPQC.GaussianBasis_Atomic-v0.2 00004 // Symbol Type: class 00005 // Babel Version: 0.10.2 00006 // Description: Server-side implementation for MPQC.GaussianBasis_Atomic 00007 // 00008 // WARNING: Automatically generated; only changes within splicers preserved 00009 // 00010 // babel-version = 0.10.2 00011 // 00012 00013 #ifndef included_MPQC_GaussianBasis_Atomic_Impl_hh 00014 #define included_MPQC_GaussianBasis_Atomic_Impl_hh 00015 00016 #ifndef included_sidl_cxx_hh 00017 #include "sidl_cxx.hh" 00018 #endif 00019 #ifndef included_MPQC_GaussianBasis_Atomic_IOR_h 00020 #include "MPQC_GaussianBasis_Atomic_IOR.h" 00021 #endif 00022 // 00023 // Includes for all method dependencies. 00024 // 00025 #ifndef included_Chemistry_QC_GaussianBasis_AngularType_hh 00026 #include "Chemistry_QC_GaussianBasis_AngularType.hh" 00027 #endif 00028 #ifndef included_Chemistry_QC_GaussianBasis_Shell_hh 00029 #include "Chemistry_QC_GaussianBasis_Shell.hh" 00030 #endif 00031 #ifndef included_MPQC_GaussianBasis_Atomic_hh 00032 #include "MPQC_GaussianBasis_Atomic.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 // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Atomic._includes) 00043 #include <chemistry/qc/basis/basis.h> 00044 #include <MPQC_GaussianBasis_Shell.hh> 00045 using namespace std; 00046 using namespace Chemistry::QC::GaussianBasis; 00047 using namespace sc; 00048 using namespace MPQC; 00049 // Put additional includes or other arbitrary code here... 00050 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Atomic._includes) 00051 00052 namespace MPQC { 00053 00057 class GaussianBasis_Atomic_impl 00058 // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Atomic._inherits) 00059 00070 // Put additional inheritance here... 00071 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Atomic._inherits) 00072 { 00073 00074 private: 00075 // Pointer back to IOR. 00076 // Use this to dispatch back through IOR vtable. 00077 GaussianBasis_Atomic self; 00078 00079 // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Atomic._implementation) 00080 00081 GaussianBasisSet *gbs_ptr_; 00082 Ref<GaussianBasisSet> sc_gbs_; 00083 int atomnum_; 00084 int nshell_; 00085 int max_am_; 00086 GaussianBasis_Shell *shell_array_; 00087 AngularType angular_type_; 00088 00089 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Atomic._implementation) 00090 00091 private: 00092 // private default constructor (required) 00093 GaussianBasis_Atomic_impl() 00094 {} 00095 00096 public: 00097 // sidl constructor (required) 00098 // Note: alternate Skel constructor doesn't call addref() 00099 // (fixes bug #275) 00100 GaussianBasis_Atomic_impl( struct MPQC_GaussianBasis_Atomic__object * s ) : 00101 self(s,true) { _ctor(); } 00102 00103 // user defined construction 00104 void _ctor(); 00105 00106 // virtual destructor (required) 00107 virtual ~GaussianBasis_Atomic_impl() { _dtor(); } 00108 00109 // user defined destruction 00110 void _dtor(); 00111 00112 // static class initializer 00113 static void _load(); 00114 00115 public: 00116 00120 void 00121 initialize ( 00122 /* in */ void* scbasis, 00123 /* in */ int32_t atomnum 00124 ) 00125 throw () 00126 ; 00127 00128 00133 ::std::string 00134 get_name() throw () 00135 ; 00136 00141 int64_t 00142 get_n_basis() throw () 00143 ; 00144 00149 int64_t 00150 get_n_shell() throw () 00151 ; 00152 00157 int64_t 00158 get_max_angular_momentum() throw () 00159 ; 00160 00165 ::Chemistry::QC::GaussianBasis::AngularType 00166 get_angular_type() throw () 00167 ; 00168 00174 ::Chemistry::QC::GaussianBasis::Shell 00175 get_shell ( 00176 /* in */ int64_t shellnum 00177 ) 00178 throw () 00179 ; 00180 00181 00185 void 00186 print_atomic() throw () 00187 ; 00188 }; // end class GaussianBasis_Atomic_impl 00189 00190 } // end namespace MPQC 00191 00192 // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Atomic._misc) 00193 // Put miscellaneous things here... 00194 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Atomic._misc) 00195 00196 #endif