MPQC  2.3.1
MPQC_IntegralEvaluator3_Impl.hh
1 //
2 // File: MPQC_IntegralEvaluator3_Impl.hh
3 // Symbol: MPQC.IntegralEvaluator3-v0.2
4 // Symbol Type: class
5 // Babel Version: 0.10.2
6 // Description: Server-side implementation for MPQC.IntegralEvaluator3
7 //
8 // WARNING: Automatically generated; only changes within splicers preserved
9 //
10 // babel-version = 0.10.2
11 //
12 
13 #ifndef included_MPQC_IntegralEvaluator3_Impl_hh
14 #define included_MPQC_IntegralEvaluator3_Impl_hh
15 
16 #ifndef included_sidl_cxx_hh
17 #include "sidl_cxx.hh"
18 #endif
19 #ifndef included_MPQC_IntegralEvaluator3_IOR_h
20 #include "MPQC_IntegralEvaluator3_IOR.h"
21 #endif
22 //
23 // Includes for all method dependencies.
24 //
25 #ifndef included_Chemistry_QC_GaussianBasis_DerivCenters_hh
26 #include "Chemistry_QC_GaussianBasis_DerivCenters.hh"
27 #endif
28 #ifndef included_Chemistry_QC_GaussianBasis_Molecular_hh
29 #include "Chemistry_QC_GaussianBasis_Molecular.hh"
30 #endif
31 #ifndef included_MPQC_IntegralEvaluator3_hh
32 #include "MPQC_IntegralEvaluator3.hh"
33 #endif
34 #ifndef included_sidl_BaseInterface_hh
35 #include "sidl_BaseInterface.hh"
36 #endif
37 #ifndef included_sidl_ClassInfo_hh
38 #include "sidl_ClassInfo.hh"
39 #endif
40 
41 
42 // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._includes)
43 // Put additional includes or other arbitrary code here...
44 // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._includes)
45 
46 namespace MPQC {
47 
52  // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._inherits)
53 
64  // Put additional inheritance here...
65  // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._inherits)
66  {
67 
68  private:
69  // Pointer back to IOR.
70  // Use this to dispatch back through IOR vtable.
71  IntegralEvaluator3 self;
72 
73  // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._implementation)
74  // Put additional implementation details here...
75  // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._implementation)
76 
77  private:
78  // private default constructor (required)
80  {}
81 
82  public:
83  // sidl constructor (required)
84  // Note: alternate Skel constructor doesn't call addref()
85  // (fixes bug #275)
86  IntegralEvaluator3_impl( struct MPQC_IntegralEvaluator3__object * s ) :
87  self(s,true) { _ctor(); }
88 
89  // user defined construction
90  void _ctor();
91 
92  // virtual destructor (required)
93  virtual ~IntegralEvaluator3_impl() { _dtor(); }
94 
95  // user defined destruction
96  void _dtor();
97 
98  // static class initializer
99  static void _load();
100 
101  public:
102 
106  void
108  /* in */ const ::std::string& label
109  )
110  throw ()
111  ;
112 
113 
122  void
123  initialize (
124  /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs1,
125  /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs2,
126  /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs3,
127  /* in */ const ::std::string& label,
128  /* in */ int64_t max_deriv
129  )
130  throw ()
131  ;
132 
133 
138  void*
139  get_buffer() throw ()
140  ;
141 
150  void
151  compute (
152  /* in */ int64_t shellnum1,
153  /* in */ int64_t shellnum2,
154  /* in */ int64_t shellnum3,
155  /* in */ int64_t deriv_level,
156  /* in */ ::Chemistry::QC::GaussianBasis::DerivCenters deriv_ctr
157  )
158  throw ()
159  ;
160 
161 
172  ::sidl::array<double>
173  compute_array (
174  /* in */ int64_t shellnum1,
175  /* in */ int64_t shellnum2,
176  /* in */ int64_t shellnum3,
177  /* in */ int64_t deriv_level,
178  /* in */ ::Chemistry::QC::GaussianBasis::DerivCenters deriv_ctr
179  )
180  throw ()
181  ;
182 
183  }; // end class IntegralEvaluator3_impl
184 
185 } // end namespace MPQC
186 
187 // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._misc)
188 // Put miscellaneous things here...
189 // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._misc)
190 
191 #endif
MPQC::IntegralEvaluator3_impl::initialize
void initialize(::Chemistry::QC::GaussianBasis::Molecular bs1, ::Chemistry::QC::GaussianBasis::Molecular bs2, ::Chemistry::QC::GaussianBasis::Molecular bs3, const ::std::string &label, int64_t max_deriv)
Initialize the evaluator.
MPQC::IntegralEvaluator3_impl::compute_array
::sidl::array< double > compute_array(int64_t shellnum1, int64_t shellnum2, int64_t shellnum3, int64_t deriv_level, ::Chemistry::QC::GaussianBasis::DerivCenters deriv_ctr)
Compute a shell triplet of integrals and return as a borrowed sidl array.
MPQC::IntegralEvaluator3_impl::get_buffer
void * get_buffer()
Get the buffer pointer.
MPQC::IntegralEvaluator3_impl
Symbol "MPQC.IntegralEvaluator3" (version 0.2)
Definition: MPQC_IntegralEvaluator3_Impl.hh:51
MPQC::IntegralEvaluator3_impl::set_integral_package
void set_integral_package(const ::std::string &label)
user defined non-static method.
MPQC::IntegralEvaluator3_impl::compute
void compute(int64_t shellnum1, int64_t shellnum2, int64_t shellnum3, int64_t deriv_level, ::Chemistry::QC::GaussianBasis::DerivCenters deriv_ctr)
Compute a shell triplet of integrals.

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