source: src/Fragmentation/Exporters/SphericalPointDistribution_getConnections.cpp@ 7c7696

ForceAnnealing_goodresults ForceAnnealing_tocheck
Last change on this file since 7c7696 was 9eb71b3, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Commented out MemDebug include and Memory::ignore.

  • MemDebug clashes with various allocation operators that use a specific placement in memory. It is so far not possible to wrap new/delete fully. Hence, we stop this effort which so far has forced us to put ever more includes (with clashes) into MemDebug and thereby bloat compilation time.
  • MemDebug does not add that much usefulness which is not also provided by valgrind.
  • Property mode set to 100644
File size: 13.4 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2014 Frederik Heber. All rights reserved.
5 *
6 *
7 * This file is part of MoleCuilder.
8 *
9 * MoleCuilder is free software: you can redistribute it and/or modify
10 * it under the terms of the GNU General Public License as published by
11 * the Free Software Foundation, either version 2 of the License, or
12 * (at your option) any later version.
13 *
14 * MoleCuilder is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 * GNU General Public License for more details.
18 *
19 * You should have received a copy of the GNU General Public License
20 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
21 */
22
23/*
24 * SphericalPointDistribution_getConnections.cpp
25 *
26 * Created on: Jul 12, 2014
27 * Author: heber
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35//#include "CodePatterns/MemDebug.hpp"
36
37#include "SphericalPointDistribution.hpp"
38
39#include "CodePatterns/Assert.hpp"
40
41#include <boost/assign.hpp>
42
43using namespace std;
44using namespace boost::assign;
45
46typedef SphericalPointDistribution::IndexSet_t IndexSet_t;
47
48template <>
49SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<0>()
50{
51 adjacency_t adjacency;
52 ASSERT( adjacency.size() == 0,
53 "SphericalPointDistribution::getConnections<0>() - adjacency has wrong size.");
54 return adjacency;
55}
56
57template <>
58SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<1>()
59{
60 adjacency_t adjacency;
61 ASSERT( adjacency.size() == 0,
62 "SphericalPointDistribution::getConnections<1>() - adjacency has wrong size.");
63 return adjacency;
64}
65
66template <>
67SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<2>()
68{
69 adjacency_t adjacency;
70 adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(1) );
71 adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(0) );
72 ASSERT( adjacency.size() == 2,
73 "SphericalPointDistribution::getConnections<2>() - adjacency has wrong size.");
74 return adjacency;
75}
76
77template <>
78SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<3>()
79{
80 adjacency_t adjacency;
81 adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(1)(2) );
82 adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(0)(2) );
83 adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(1) );
84 ASSERT( adjacency.size() == 3,
85 "SphericalPointDistribution::getConnections<3>() - adjacency has wrong size.");
86 return adjacency;
87}
88
89template <>
90SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<4>()
91{
92 adjacency_t adjacency;
93 adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(1)(2)(3) );
94 adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(0)(2)(3) );
95 adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(1)(3) );
96 adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(1)(2) );
97 ASSERT( adjacency.size() == 4,
98 "SphericalPointDistribution::getConnections<4>() - adjacency has wrong size.");
99 return adjacency;
100}
101
102template <>
103SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<5>()
104{
105 adjacency_t adjacency;
106 adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(2)(3)(4) );
107 adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(2)(3)(4) );
108 adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(1)(3)(4) );
109 adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(1)(2)(4) );
110 adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(1)(2)(3) );
111 ASSERT( adjacency.size() == 5,
112 "SphericalPointDistribution::getConnections<5>() - adjacency has wrong size.");
113 return adjacency;
114}
115
116template <>
117SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<6>()
118{
119 adjacency_t adjacency;
120 adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(2)(3)(4)(5) );
121 adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(2)(3)(4)(5) );
122 adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(1)(4)(5) );
123 adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(1)(4)(5) );
124 adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(1)(2)(3) );
125 adjacency += make_pair<unsigned int, IndexSet_t >( 5, list_of<unsigned int>(0)(1)(2)(3) );
126 ASSERT( adjacency.size() == 6,
127 "SphericalPointDistribution::getConnections<6>() - adjacency has wrong size.");
128 return adjacency;
129}
130
131template <>
132SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<7>()
133{
134 adjacency_t adjacency;
135 adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(2)(3)(4)(5)(6) );
136 adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(2)(3)(4)(5)(6) );
137 adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(1)(3)(6) );
138 adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(1)(2)(4) );
139 adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(1)(3)(5) );
140 adjacency += make_pair<unsigned int, IndexSet_t >( 5, list_of<unsigned int>(0)(1)(4)(6) );
141 adjacency += make_pair<unsigned int, IndexSet_t >( 6, list_of<unsigned int>(0)(1)(2)(5) );
142 ASSERT( adjacency.size() == 7,
143 "SphericalPointDistribution::getConnections<7>() - adjacency has wrong size.");
144 return adjacency;
145}
146
147template <>
148SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<8>()
149{
150 adjacency_t adjacency;
151 adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(2)(3)(4)(5)(6)(7) );
152 adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(2)(3)(4)(5) );
153 adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(1)(3)(4)(6)(7) );
154 adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(1)(2)(5)(7) );
155 adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(1)(2)(5)(6) );
156 adjacency += make_pair<unsigned int, IndexSet_t >( 5, list_of<unsigned int>(0)(1)(3)(4) );
157 adjacency += make_pair<unsigned int, IndexSet_t >( 6, list_of<unsigned int>(0)(2)(4) );
158 adjacency += make_pair<unsigned int, IndexSet_t >( 7, list_of<unsigned int>(0)(2)(3) );
159 ASSERT( adjacency.size() == 8,
160 "SphericalPointDistribution::getConnections<8>() - adjacency has wrong size.");
161 return adjacency;
162}
163
164template <>
165SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<9>()
166{
167 adjacency_t adjacency;
168 adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(1)(2)(3)(4) );
169 adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(0)(3)(4)(5)(6) );
170 adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(3)(4)(7)(8) );
171 adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(1)(2)(5)(8) );
172 adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(1)(2)(6)(7) );
173 adjacency += make_pair<unsigned int, IndexSet_t >( 5, list_of<unsigned int>(1)(3)(6)(7)(8) );
174 adjacency += make_pair<unsigned int, IndexSet_t >( 6, list_of<unsigned int>(1)(4)(5)(7) );
175 adjacency += make_pair<unsigned int, IndexSet_t >( 7, list_of<unsigned int>(2)(4)(5)(6)(8) );
176 adjacency += make_pair<unsigned int, IndexSet_t >( 8, list_of<unsigned int>(2)(3)(5)(7) );
177 ASSERT( adjacency.size() == 9,
178 "SphericalPointDistribution::getConnections<9>() - adjacency has wrong size.");
179 return adjacency;
180}
181
182template <>
183SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<10>()
184{
185 adjacency_t adjacency;
186 adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(2)(3)(4)(5) );
187 adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(6)(7)(8)(9) );
188 adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(4)(5)(6)(7) );
189 adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(4)(5)(8)(9) );
190 adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(2)(3)(6)(9) );
191 adjacency += make_pair<unsigned int, IndexSet_t >( 5, list_of<unsigned int>(0)(2)(3)(7)(8) );
192 adjacency += make_pair<unsigned int, IndexSet_t >( 6, list_of<unsigned int>(1)(2)(4)(7)(9) );
193 adjacency += make_pair<unsigned int, IndexSet_t >( 7, list_of<unsigned int>(1)(2)(5)(6)(8) );
194 adjacency += make_pair<unsigned int, IndexSet_t >( 8, list_of<unsigned int>(1)(3)(5)(7)(9) );
195 adjacency += make_pair<unsigned int, IndexSet_t >( 9, list_of<unsigned int>(1)(3)(4)(6)(8) );
196 ASSERT( adjacency.size() == 10,
197 "SphericalPointDistribution::getConnections<10>() - adjacency has wrong size.");
198 return adjacency;
199}
200
201template <>
202SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<11>()
203{
204 adjacency_t adjacency;
205 adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(1)(2)(3)(4)(5) );
206 adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(0)(2)(5)(6)(10) );
207 adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(1)(3)(6)(7) );
208 adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(2)(4)(7)(8) );
209 adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(3)(5)(8)(9) );
210 adjacency += make_pair<unsigned int, IndexSet_t >( 5, list_of<unsigned int>(0)(1)(4)(9)(10) );
211 adjacency += make_pair<unsigned int, IndexSet_t >( 6, list_of<unsigned int>(1)(2)(7)(8)(9)(10) );
212 adjacency += make_pair<unsigned int, IndexSet_t >( 7, list_of<unsigned int>(2)(3)(6)(8) );
213 adjacency += make_pair<unsigned int, IndexSet_t >( 8, list_of<unsigned int>(3)(4)(6)(7)(9) );
214 adjacency += make_pair<unsigned int, IndexSet_t >( 9, list_of<unsigned int>(4)(5)(6)(8)(10) );
215 adjacency += make_pair<unsigned int, IndexSet_t >( 10, list_of<unsigned int>(1)(5)(6)(9) );
216 ASSERT( adjacency.size() == 11,
217 "SphericalPointDistribution::getConnections<11>() - adjacency has wrong size.");
218 return adjacency;
219}
220
221template <>
222SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<12>()
223{
224 adjacency_t adjacency;
225 adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(2)(3)(4)(5)(6) );
226 adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(7)(8)(9)(10)(11) );
227 adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(3)(6)(9)(10) );
228 adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(2)(4)(10)(11) );
229 adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(3)(5)(7)(11) );
230 adjacency += make_pair<unsigned int, IndexSet_t >( 5, list_of<unsigned int>(0)(4)(6)(7)(8) );
231 adjacency += make_pair<unsigned int, IndexSet_t >( 6, list_of<unsigned int>(0)(2)(5)(8)(9) );
232 adjacency += make_pair<unsigned int, IndexSet_t >( 7, list_of<unsigned int>(1)(4)(5)(8)(11) );
233 adjacency += make_pair<unsigned int, IndexSet_t >( 8, list_of<unsigned int>(1)(5)(6)(7)(9) );
234 adjacency += make_pair<unsigned int, IndexSet_t >( 9, list_of<unsigned int>(1)(2)(6)(8)(10) );
235 adjacency += make_pair<unsigned int, IndexSet_t >( 10, list_of<unsigned int>(1)(2)(3)(9)(11) );
236 adjacency += make_pair<unsigned int, IndexSet_t >( 11, list_of<unsigned int>(1)(3)(4)(7)(10) );
237 ASSERT( adjacency.size() == 12,
238 "SphericalPointDistribution::getConnections<12>() - adjacency has wrong size.");
239 return adjacency;
240}
241
242template <>
243SphericalPointDistribution::adjacency_t SphericalPointDistribution::getConnections<14>()
244{
245 adjacency_t adjacency;
246 adjacency += make_pair<unsigned int, IndexSet_t >( 0, list_of<unsigned int>(2)(3)(4)(5)(6)(7) );
247 adjacency += make_pair<unsigned int, IndexSet_t >( 1, list_of<unsigned int>(8)(9)(10)(11)(12)(13) );
248 adjacency += make_pair<unsigned int, IndexSet_t >( 2, list_of<unsigned int>(0)(3)(7)(8)(13) );
249 adjacency += make_pair<unsigned int, IndexSet_t >( 3, list_of<unsigned int>(0)(2)(4)(8)(9) );
250 adjacency += make_pair<unsigned int, IndexSet_t >( 4, list_of<unsigned int>(0)(3)(5)(9)(10) );
251 adjacency += make_pair<unsigned int, IndexSet_t >( 5, list_of<unsigned int>(0)(4)(6)(10)(11) );
252 adjacency += make_pair<unsigned int, IndexSet_t >( 6, list_of<unsigned int>(0)(5)(7)(11)(12) );
253 adjacency += make_pair<unsigned int, IndexSet_t >( 7, list_of<unsigned int>(0)(2)(6)(12)(13) );
254 adjacency += make_pair<unsigned int, IndexSet_t >( 8, list_of<unsigned int>(1)(2)(3)(9)(13) );
255 adjacency += make_pair<unsigned int, IndexSet_t >( 9, list_of<unsigned int>(1)(3)(4)(8)(10) );
256 adjacency += make_pair<unsigned int, IndexSet_t >( 10, list_of<unsigned int>(1)(4)(5)(9)(11) );
257 adjacency += make_pair<unsigned int, IndexSet_t >( 11, list_of<unsigned int>(1)(5)(6)(10)(12) );
258 adjacency += make_pair<unsigned int, IndexSet_t >( 12, list_of<unsigned int>(1)(6)(7)(11)(13) );
259 adjacency += make_pair<unsigned int, IndexSet_t >( 13, list_of<unsigned int>(1)(2)(7)(8)(12) );
260 ASSERT( adjacency.size() == 14,
261 "SphericalPointDistribution::getConnections<14>() - adjacency has wrong size.");
262 return adjacency;
263}
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