1 //
2 // File:          NWChem_IntegralEvaluator4_Impl.cc
3 // Symbol:        NWChem.IntegralEvaluator4-v0.4
4 // Symbol Type:   class
5 // Babel Version: 0.10.12
6 // Description:   Server-side implementation for NWChem.IntegralEvaluator4
7 //
8 // WARNING: Automatically generated; only changes within splicers preserved
9 //
10 // babel-version = 0.10.12
11 // xml-url       = /home/windus/CCA/mcmd-paper/nwchem/src/cca/repo/NWChem.IntegralEvaluator4-v0.4.xml
12 //
13 #include "NWChem_IntegralEvaluator4_Impl.hh"
14 
15 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4._includes)
16 // Insert-Code-Here {NWChem.IntegralEvaluator4._includes} (additional includes or code)
17 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4._includes)
18 
19 // user-defined constructor.
_ctor()20 void NWChem::IntegralEvaluator4_impl::_ctor() {
21   // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4._ctor)
22   // Insert-Code-Here {NWChem.IntegralEvaluator4._ctor} (constructor)
23   // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4._ctor)
24 }
25 
26 // user-defined destructor.
_dtor()27 void NWChem::IntegralEvaluator4_impl::_dtor() {
28   // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4._dtor)
29   // Insert-Code-Here {NWChem.IntegralEvaluator4._dtor} (destructor)
30   // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4._dtor)
31 }
32 
33 // static class initializer.
_load()34 void NWChem::IntegralEvaluator4_impl::_load() {
35   // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4._load)
36   // Insert-Code-Here {NWChem.IntegralEvaluator4._load} (class initialization)
37   // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4._load)
38 }
39 
40 // user-defined static methods: (none)
41 
42 // user-defined non-static methods:
43 /**
44  * Get buffer pointer for given type.
45  * @return Buffer pointer.
46  */
47 void*
get_buffer(::Chemistry::QC::GaussianBasis::IntegralDescr desc)48 NWChem::IntegralEvaluator4_impl::get_buffer (
49   /* in */ ::Chemistry::QC::GaussianBasis::IntegralDescr desc )
50 throw (
51   ::sidl::BaseException
52 ){
53   // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4.get_buffer)
54   // Insert-Code-Here {NWChem.IntegralEvaluator4.get_buffer} (get_buffer method)
55   // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4.get_buffer)
56 }
57 
58 /**
59  * Method:  get_descriptor[]
60  */
61 ::Chemistry::QC::GaussianBasis::CompositeIntegralDescr
get_descriptor()62 NWChem::IntegralEvaluator4_impl::get_descriptor ()
63 throw (
64   ::sidl::BaseException
65 )
66 {
67   // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4.get_descriptor)
68   // Insert-Code-Here {NWChem.IntegralEvaluator4.get_descriptor} (get_descriptor method)
69   // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4.get_descriptor)
70 }
71 
72 /**
73  * Compute a shell quartet of integrals.
74  * @param shellnum1 Gaussian shell number 1.
75  * @param shellnum2 Gaussian shell number 2.
76  * @param shellnum3 Gaussian shell number 3.
77  * @param shellnum4 Gaussian shell number 4.
78  * @param deriv_level Derivative level.
79  */
80 void
compute(int64_t shellnum1,int64_t shellnum2,int64_t shellnum3,int64_t shellnum4)81 NWChem::IntegralEvaluator4_impl::compute (
82   /* in */ int64_t shellnum1,
83   /* in */ int64_t shellnum2,
84   /* in */ int64_t shellnum3,
85   /* in */ int64_t shellnum4 )
86 throw (
87   ::sidl::BaseException
88 ){
89   // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4.compute)
90   // Insert-Code-Here {NWChem.IntegralEvaluator4.compute} (compute method)
91   // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4.compute)
92 }
93 
94 /**
95  * Compute a shell quartet of integrals and return as a borrowed
96  * sidl array.
97  * @param shellnum1 Gaussian shell number 1.
98  * @param shellnum2 Gaussian shell number 2.
99  * @param shellnum3 Gaussian shell number 3.
100  * @param shellnum4 Gaussian shell number 4.
101  * @return Borrowed sidl array buffer.
102  */
103 ::sidl::array<double>
compute_array(int64_t shellnum1,int64_t shellnum2,int64_t shellnum3,int64_t shellnum4)104 NWChem::IntegralEvaluator4_impl::compute_array (
105   /* in */ int64_t shellnum1,
106   /* in */ int64_t shellnum2,
107   /* in */ int64_t shellnum3,
108   /* in */ int64_t shellnum4 )
109 throw (
110   ::sidl::BaseException
111 ){
112   // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4.compute_array)
113   // Insert-Code-Here {NWChem.IntegralEvaluator4.compute_array} (compute_array method)
114   // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4.compute_array)
115 }
116 
117 /**
118  * Compute integral bounds.
119  * @param shellnum1 Gaussian shell number 1.
120  * @param shellnum2 Gaussian shell number 2.
121  * @param shellnum3 Gaussian shell number 3.
122  * @param shellnum4 Gaussian shell number 4.
123  */
124 double
compute_bounds(int64_t shellnum1,int64_t shellnum2,int64_t shellnum3,int64_t shellnum4)125 NWChem::IntegralEvaluator4_impl::compute_bounds (
126   /* in */ int64_t shellnum1,
127   /* in */ int64_t shellnum2,
128   /* in */ int64_t shellnum3,
129   /* in */ int64_t shellnum4 )
130 throw (
131   ::sidl::BaseException
132 ){
133   // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4.compute_bounds)
134   // Insert-Code-Here {NWChem.IntegralEvaluator4.compute_bounds} (compute_bounds method)
135   // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4.compute_bounds)
136 }
137 
138 /**
139  * Compute array of integral bounds.
140  * @param shellnum1 Gaussian shell number 1.
141  * @param shellnum2 Gaussian shell number 2.
142  * @param shellnum3 Gaussian shell number 3.
143  * @param shellnum4 Gaussian shell number 4.
144  */
145 ::sidl::array<double>
compute_bounds_array(int64_t shellnum1,int64_t shellnum2,int64_t shellnum3,int64_t shellnum4)146 NWChem::IntegralEvaluator4_impl::compute_bounds_array (
147   /* in */ int64_t shellnum1,
148   /* in */ int64_t shellnum2,
149   /* in */ int64_t shellnum3,
150   /* in */ int64_t shellnum4 )
151 throw (
152   ::sidl::BaseException
153 ){
154   // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4.compute_bounds_array)
155   // Insert-Code-Here {NWChem.IntegralEvaluator4.compute_bounds_array} (compute_bounds_array method)
156   // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4.compute_bounds_array)
157 }
158 
159 
160 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4._misc)
161 // Insert-Code-Here {NWChem.IntegralEvaluator4._misc} (miscellaneous code)
162 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4._misc)
163 
164