MPQC 2.3.1

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MPQC_GaussianBasis_Atomic_Impl.hh
1 //
2 // File: MPQC_GaussianBasis_Atomic_Impl.hh
3 // Symbol: MPQC.GaussianBasis_Atomic-v0.2
4 // Symbol Type: class
5 // Babel Version: 0.10.2
6 // Description: Server-side implementation for MPQC.GaussianBasis_Atomic
7 //
8 // WARNING: Automatically generated; only changes within splicers preserved
9 //
10 // babel-version = 0.10.2
11 //
12
13 #ifndef included_MPQC_GaussianBasis_Atomic_Impl_hh
14 #define included_MPQC_GaussianBasis_Atomic_Impl_hh
15
16 #ifndef included_sidl_cxx_hh
17 #include "sidl_cxx.hh"
18 #endif
19 #ifndef included_MPQC_GaussianBasis_Atomic_IOR_h
20 #include "MPQC_GaussianBasis_Atomic_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_Chemistry_QC_GaussianBasis_Shell_hh
29 #include "Chemistry_QC_GaussianBasis_Shell.hh"
30 #endif
31 #ifndef included_MPQC_GaussianBasis_Atomic_hh
32 #include "MPQC_GaussianBasis_Atomic.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.GaussianBasis_Atomic._includes)
43 #include <chemistry/qc/basis/basis.h>
44 #include <MPQC_GaussianBasis_Shell.hh>
45 using namespace std;
46 using namespace Chemistry::QC::GaussianBasis;
47 using namespace sc;
48 using namespace MPQC;
49 // Put additional includes or other arbitrary code here...
50 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Atomic._includes)
51
52 namespace MPQC {
53
57 class GaussianBasis_Atomic_impl
58 // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Atomic._inherits)
59
70 // Put additional inheritance here...
71 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Atomic._inherits)
72 {
73
74 private:
75 // Pointer back to IOR.
76 // Use this to dispatch back through IOR vtable.
77 GaussianBasis_Atomic self;
78
79 // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Atomic._implementation)
80
81 GaussianBasisSet *gbs_ptr_;
82 Ref<GaussianBasisSet> sc_gbs_;
83 int atomnum_;
84 int nshell_;
85 int max_am_;
86 GaussianBasis_Shell *shell_array_;
87 AngularType angular_type_;
88
89 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Atomic._implementation)
90
91 private:
92 // private default constructor (required)
93 GaussianBasis_Atomic_impl()
94 {}
95
96 public:
97 // sidl constructor (required)
98 // Note: alternate Skel constructor doesn't call addref()
99 // (fixes bug #275)
100 GaussianBasis_Atomic_impl( struct MPQC_GaussianBasis_Atomic__object * s ) :
101 self(s,true) { _ctor(); }
102
103 // user defined construction
104 void _ctor();
105
106 // virtual destructor (required)
107 virtual ~GaussianBasis_Atomic_impl() { _dtor(); }
108
109 // user defined destruction
110 void _dtor();
111
112 // static class initializer
113 static void _load();
114
115 public:
116
120 void
121 initialize (
122 /* in */ void* scbasis,
123 /* in */ int32_t atomnum
124 )
125 throw ()
126 ;
127
128
133 ::std::string
134 get_name() throw ()
135 ;
136
141 int64_t
142 get_n_basis() throw ()
143 ;
144
149 int64_t
150 get_n_shell() throw ()
151 ;
152
157 int64_t
158 get_max_angular_momentum() throw ()
159 ;
160
165 ::Chemistry::QC::GaussianBasis::AngularType
166 get_angular_type() throw ()
167 ;
168
174 ::Chemistry::QC::GaussianBasis::Shell
175 get_shell (
176 /* in */ int64_t shellnum
177 )
178 throw ()
179 ;
180
181
185 void
186 print_atomic() throw ()
187 ;
188 }; // end class GaussianBasis_Atomic_impl
189
190 } // end namespace MPQC
191
192 // DO-NOT-DELETE splicer.begin(MPQC.GaussianBasis_Atomic._misc)
193 // Put miscellaneous things here...
194 // DO-NOT-DELETE splicer.end(MPQC.GaussianBasis_Atomic._misc)
195
196 #endif