MPQC 2.3.1
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00001 // 00002 // File: MPQC_IntegralEvaluator3_Impl.hh 00003 // Symbol: MPQC.IntegralEvaluator3-v0.2 00004 // Symbol Type: class 00005 // Babel Version: 0.10.2 00006 // Description: Server-side implementation for MPQC.IntegralEvaluator3 00007 // 00008 // WARNING: Automatically generated; only changes within splicers preserved 00009 // 00010 // babel-version = 0.10.2 00011 // 00012 00013 #ifndef included_MPQC_IntegralEvaluator3_Impl_hh 00014 #define included_MPQC_IntegralEvaluator3_Impl_hh 00015 00016 #ifndef included_sidl_cxx_hh 00017 #include "sidl_cxx.hh" 00018 #endif 00019 #ifndef included_MPQC_IntegralEvaluator3_IOR_h 00020 #include "MPQC_IntegralEvaluator3_IOR.h" 00021 #endif 00022 // 00023 // Includes for all method dependencies. 00024 // 00025 #ifndef included_Chemistry_QC_GaussianBasis_DerivCenters_hh 00026 #include "Chemistry_QC_GaussianBasis_DerivCenters.hh" 00027 #endif 00028 #ifndef included_Chemistry_QC_GaussianBasis_Molecular_hh 00029 #include "Chemistry_QC_GaussianBasis_Molecular.hh" 00030 #endif 00031 #ifndef included_MPQC_IntegralEvaluator3_hh 00032 #include "MPQC_IntegralEvaluator3.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.IntegralEvaluator3._includes) 00043 // Put additional includes or other arbitrary code here... 00044 // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._includes) 00045 00046 namespace MPQC { 00047 00051 class IntegralEvaluator3_impl 00052 // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._inherits) 00053 00064 // Put additional inheritance here... 00065 // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._inherits) 00066 { 00067 00068 private: 00069 // Pointer back to IOR. 00070 // Use this to dispatch back through IOR vtable. 00071 IntegralEvaluator3 self; 00072 00073 // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._implementation) 00074 // Put additional implementation details here... 00075 // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._implementation) 00076 00077 private: 00078 // private default constructor (required) 00079 IntegralEvaluator3_impl() 00080 {} 00081 00082 public: 00083 // sidl constructor (required) 00084 // Note: alternate Skel constructor doesn't call addref() 00085 // (fixes bug #275) 00086 IntegralEvaluator3_impl( struct MPQC_IntegralEvaluator3__object * s ) : 00087 self(s,true) { _ctor(); } 00088 00089 // user defined construction 00090 void _ctor(); 00091 00092 // virtual destructor (required) 00093 virtual ~IntegralEvaluator3_impl() { _dtor(); } 00094 00095 // user defined destruction 00096 void _dtor(); 00097 00098 // static class initializer 00099 static void _load(); 00100 00101 public: 00102 00106 void 00107 set_integral_package ( 00108 /* in */ const ::std::string& label 00109 ) 00110 throw () 00111 ; 00112 00113 00122 void 00123 initialize ( 00124 /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs1, 00125 /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs2, 00126 /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs3, 00127 /* in */ const ::std::string& label, 00128 /* in */ int64_t max_deriv 00129 ) 00130 throw () 00131 ; 00132 00133 00138 void* 00139 get_buffer() throw () 00140 ; 00141 00150 void 00151 compute ( 00152 /* in */ int64_t shellnum1, 00153 /* in */ int64_t shellnum2, 00154 /* in */ int64_t shellnum3, 00155 /* in */ int64_t deriv_level, 00156 /* in */ ::Chemistry::QC::GaussianBasis::DerivCenters deriv_ctr 00157 ) 00158 throw () 00159 ; 00160 00161 00172 ::sidl::array<double> 00173 compute_array ( 00174 /* in */ int64_t shellnum1, 00175 /* in */ int64_t shellnum2, 00176 /* in */ int64_t shellnum3, 00177 /* in */ int64_t deriv_level, 00178 /* in */ ::Chemistry::QC::GaussianBasis::DerivCenters deriv_ctr 00179 ) 00180 throw () 00181 ; 00182 00183 }; // end class IntegralEvaluator3_impl 00184 00185 } // end namespace MPQC 00186 00187 // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._misc) 00188 // Put miscellaneous things here... 00189 // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._misc) 00190 00191 #endif