MPQC  2.3.1
MPQC_GaussianBasis_Shell_Impl.hh
1 //
2 // File: MPQC_GaussianBasis_Shell_Impl.hh
3 // Symbol: MPQC.GaussianBasis_Shell-v0.2
4 // Symbol Type: class
5 // Babel Version: 0.10.2
6 // Description: Server-side implementation for MPQC.GaussianBasis_Shell
7 //
8 // WARNING: Automatically generated; only changes within splicers preserved
9 //
10 // babel-version = 0.10.2
11 //
12 
13 #ifndef included_MPQC_GaussianBasis_Shell_Impl_hh
14 #define included_MPQC_GaussianBasis_Shell_Impl_hh
15 
16 #ifndef included_sidl_cxx_hh
17 #include "sidl_cxx.hh"
18 #endif
19 #ifndef included_MPQC_GaussianBasis_Shell_IOR_h
20 #include "MPQC_GaussianBasis_Shell_IOR.h"
21 #endif
22 //
23 // Includes for all method dependencies.
24 //
25 #ifndef included_Chemistry_QC_GaussianBasis_AngularType_hh
26 #include "Chemistry_QC_GaussianBasis_AngularType.hh"
27 #endif
28 #ifndef included_MPQC_GaussianBasis_Shell_hh
29 #include "MPQC_GaussianBasis_Shell.hh"
30 #endif
31 #ifndef included_sidl_BaseInterface_hh
32 #include "sidl_BaseInterface.hh"
33 #endif
34 #ifndef included_sidl_ClassInfo_hh
35 #include "sidl_ClassInfo.hh"
36 #endif
37 
38 
39 // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Shell._includes)
40 #include <chemistry/qc/basis/basis.h>
41 using namespace std;
42 using namespace Chemistry::QC::GaussianBasis;
43 using namespace sc;
44 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Shell._includes)
45 
46 namespace MPQC {
47 
52  // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Shell._inherits)
53 
64  // Put additional inheritance here...
65  // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Shell._inherits)
66  {
67 
68  private:
69  // Pointer back to IOR.
70  // Use this to dispatch back through IOR vtable.
71  GaussianBasis_Shell self;
72 
73  // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Shell._implementation)
74 
75  GaussianShell *shell_ptr_;
76  Ref<GaussianShell> sc_shell_;
77  AngularType angular_type_;
78  int max_am_;
79 
80  // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Shell._implementation)
81 
82  private:
83  // private default constructor (required)
85  {}
86 
87  public:
88  // sidl constructor (required)
89  // Note: alternate Skel constructor doesn't call addref()
90  // (fixes bug #275)
91  GaussianBasis_Shell_impl( struct MPQC_GaussianBasis_Shell__object * s ) :
92  self(s,true) { _ctor(); }
93 
94  // user defined construction
95  void _ctor();
96 
97  // virtual destructor (required)
98  virtual ~GaussianBasis_Shell_impl() { _dtor(); }
99 
100  // user defined destruction
101  void _dtor();
102 
103  // static class initializer
104  static void _load();
105 
106  public:
107 
111  void
112  initialize (
113  /* in */ void* scshell
114  )
115  throw ()
116  ;
117 
118 
123  int64_t
124  get_n_contraction() throw ()
125  ;
126 
131  int64_t
132  get_n_primitive() throw ()
133  ;
134 
141  double
142  get_contraction_coef (
143  /* in */ int64_t connum,
144  /* in */ int64_t expnum
145  )
146  throw ()
147  ;
148 
149 
155  double
156  get_exponent (
157  /* in */ int64_t expnum
158  )
159  throw ()
160  ;
161 
162 
168  int64_t
169  get_angular_momentum (
170  /* in */ int64_t connum
171  )
172  throw ()
173  ;
174 
175 
180  int64_t
181  get_max_angular_momentum() throw ()
182  ;
183 
189  ::Chemistry::QC::GaussianBasis::AngularType
190  get_contraction_angular_type (
191  /* in */ int64_t connum
192  )
193  throw ()
194  ;
195 
196 
201  ::Chemistry::QC::GaussianBasis::AngularType
202  get_angular_type() throw ()
203  ;
204 
208  void
209  print_shell() throw ()
210  ;
211  }; // end class GaussianBasis_Shell_impl
212 
213 } // end namespace MPQC
214 
215 // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Shell._misc)
216 // Put miscellaneous things here...
217 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Shell._misc)
218 
219 #endif
sc::Ref< GaussianShell >
MPQC::GaussianBasis_Shell_impl
Symbol "MPQC.GaussianBasis_Shell" (version 0.2)
Definition: MPQC_GaussianBasis_Shell_Impl.hh:51
sc::GaussianShell
A Gaussian orbital shell.
Definition: gaussshell.h:47

Generated at Sun Jan 26 2020 23:33:04 for MPQC 2.3.1 using the documentation package Doxygen 1.8.16.