MPQC 2.3.1

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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
51 class GaussianBasis_Shell_impl
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)
84 GaussianBasis_Shell_impl()
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