source: src/Fragmentation/Summation/Containers/createMatrixNrLookup.cpp@ 0ee9cb3

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Last change on this file since 0ee9cb3 was e0ae58d, checked in by Frederik Heber <heber@…>, 11 years ago

createMatrixNrLookup now requires a ValueMask.

  • Property mode set to 100644
File size: 2.5 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2012 University of Bonn. All rights reserved.
5 * Copyright (C) 2013 Frederik Heber. All rights reserved.
6 *
7 *
8 * This file is part of MoleCuilder.
9 *
10 * MoleCuilder is free software: you can redistribute it and/or modify
11 * it under the terms of the GNU General Public License as published by
12 * the Free Software Foundation, either version 2 of the License, or
13 * (at your option) any later version.
14 *
15 * MoleCuilder is distributed in the hope that it will be useful,
16 * but WITHOUT ANY WARRANTY; without even the implied warranty of
17 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18 * GNU General Public License for more details.
19 *
20 * You should have received a copy of the GNU General Public License
21 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
22 */
23
24/*
25 * createMatrixNrLookup.cpp
26 *
27 * Created on: Aug 31, 2012
28 * Author: heber
29 */
30
31
32// include config.h
33#ifdef HAVE_CONFIG_H
34#include <config.h>
35#endif
36
37#include "CodePatterns/MemDebug.hpp"
38
39#include "createMatrixNrLookup.hpp"
40
41#include "CodePatterns/Assert.hpp"
42#include "CodePatterns/Log.hpp"
43
44
45std::map< JobId_t, size_t > createMatrixNrLookup(
46 const std::vector<JobId_t> &jobids,
47 size_t &FragmentCounter,
48 std::vector<bool> &ValueMask)
49{
50 // align fragments
51 std::map< JobId_t, size_t > MatrixNrLookup;
52 FragmentCounter = 0;
53 ASSERT( ValueMask.size() == jobids.size(),
54 "createMatrixNrLookup() - jobids and ValueMask differ in size");
55 std::vector<bool>::const_iterator maskiter = ValueMask.begin();
56 for (std::vector<JobId_t>::const_iterator iter = jobids.begin();
57 iter != jobids.end(); ++iter, ++maskiter) {
58 LOG(3, "DEBUG: Inserting (" << *iter << "," << FragmentCounter << ").");
59#ifndef NDEBUG
60 std::pair< std::map< JobId_t, size_t >::iterator, bool> inserter =
61#endif
62 // we either set to FragmentCounter or to -1 which is always outside
63 // of range and hence skipped by (Orthogonal)Summator.
64 MatrixNrLookup.insert(
65 std::make_pair(
66 *iter,
67 (*maskiter ? FragmentCounter : (size_t)-1)
68 )
69 );
70 ASSERT( inserter.second,
71 "createMatrixNrLookup() - two results have same id "
72 +toString(*iter)+".");
73 ++FragmentCounter; // in any case needs to be increased to skip the result
74 }
75 LOG(1, "INFO: There are " << FragmentCounter << " fragments.");
76 return MatrixNrLookup;
77}
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