MPQC 2.3.1
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00001 // 00002 // File: MPQC_GaussianBasis_Shell_Impl.hh 00003 // Symbol: MPQC.GaussianBasis_Shell-v0.2 00004 // Symbol Type: class 00005 // Babel Version: 0.10.2 00006 // Description: Server-side implementation for MPQC.GaussianBasis_Shell 00007 // 00008 // WARNING: Automatically generated; only changes within splicers preserved 00009 // 00010 // babel-version = 0.10.2 00011 // 00012 00013 #ifndef included_MPQC_GaussianBasis_Shell_Impl_hh 00014 #define included_MPQC_GaussianBasis_Shell_Impl_hh 00015 00016 #ifndef included_sidl_cxx_hh 00017 #include "sidl_cxx.hh" 00018 #endif 00019 #ifndef included_MPQC_GaussianBasis_Shell_IOR_h 00020 #include "MPQC_GaussianBasis_Shell_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_MPQC_GaussianBasis_Shell_hh 00029 #include "MPQC_GaussianBasis_Shell.hh" 00030 #endif 00031 #ifndef included_sidl_BaseInterface_hh 00032 #include "sidl_BaseInterface.hh" 00033 #endif 00034 #ifndef included_sidl_ClassInfo_hh 00035 #include "sidl_ClassInfo.hh" 00036 #endif 00037 00038 00039 // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Shell._includes) 00040 #include <chemistry/qc/basis/basis.h> 00041 using namespace std; 00042 using namespace Chemistry::QC::GaussianBasis; 00043 using namespace sc; 00044 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Shell._includes) 00045 00046 namespace MPQC { 00047 00051 class GaussianBasis_Shell_impl 00052 // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Shell._inherits) 00053 00064 // Put additional inheritance here... 00065 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Shell._inherits) 00066 { 00067 00068 private: 00069 // Pointer back to IOR. 00070 // Use this to dispatch back through IOR vtable. 00071 GaussianBasis_Shell self; 00072 00073 // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Shell._implementation) 00074 00075 GaussianShell *shell_ptr_; 00076 Ref<GaussianShell> sc_shell_; 00077 AngularType angular_type_; 00078 int max_am_; 00079 00080 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Shell._implementation) 00081 00082 private: 00083 // private default constructor (required) 00084 GaussianBasis_Shell_impl() 00085 {} 00086 00087 public: 00088 // sidl constructor (required) 00089 // Note: alternate Skel constructor doesn't call addref() 00090 // (fixes bug #275) 00091 GaussianBasis_Shell_impl( struct MPQC_GaussianBasis_Shell__object * s ) : 00092 self(s,true) { _ctor(); } 00093 00094 // user defined construction 00095 void _ctor(); 00096 00097 // virtual destructor (required) 00098 virtual ~GaussianBasis_Shell_impl() { _dtor(); } 00099 00100 // user defined destruction 00101 void _dtor(); 00102 00103 // static class initializer 00104 static void _load(); 00105 00106 public: 00107 00111 void 00112 initialize ( 00113 /* in */ void* scshell 00114 ) 00115 throw () 00116 ; 00117 00118 00123 int64_t 00124 get_n_contraction() throw () 00125 ; 00126 00131 int64_t 00132 get_n_primitive() throw () 00133 ; 00134 00141 double 00142 get_contraction_coef ( 00143 /* in */ int64_t connum, 00144 /* in */ int64_t expnum 00145 ) 00146 throw () 00147 ; 00148 00149 00155 double 00156 get_exponent ( 00157 /* in */ int64_t expnum 00158 ) 00159 throw () 00160 ; 00161 00162 00168 int64_t 00169 get_angular_momentum ( 00170 /* in */ int64_t connum 00171 ) 00172 throw () 00173 ; 00174 00175 00180 int64_t 00181 get_max_angular_momentum() throw () 00182 ; 00183 00189 ::Chemistry::QC::GaussianBasis::AngularType 00190 get_contraction_angular_type ( 00191 /* in */ int64_t connum 00192 ) 00193 throw () 00194 ; 00195 00196 00201 ::Chemistry::QC::GaussianBasis::AngularType 00202 get_angular_type() throw () 00203 ; 00204 00208 void 00209 print_shell() throw () 00210 ; 00211 }; // end class GaussianBasis_Shell_impl 00212 00213 } // end namespace MPQC 00214 00215 // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Shell._misc) 00216 // Put miscellaneous things here... 00217 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Shell._misc) 00218 00219 #endif