source: src/Fragmentation/Summation/SetValues/SamplingGridProperties.cpp@ e2925fd

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Last change on this file since e2925fd was fbf143, checked in by Frederik Heber <heber@…>, 12 years ago

Placed Containers, Converter, and SetValues as subfolders into Summation.

  • also libMolecuilderFragmentationSummation is now a shared library, easing linkage to libMolecuilderJobs, and contains all of the three convenience libraries.
  • libMolecuilderFragmentationSetValues is now again convenience, as contained in ..Summation which in turn is shared.
  • KeySetsContainer right now is the link between lib..Summation and lib.. Fragmentation. Hence, we had to extract the module and change it into a shared library, as it is required by libMolecuilderJobs through ..Summation but also by ..Fragmentation that heavily relies on this container.
  • moved parseKeySetFile down into Fragmentation folder to KeySetsContainer, it is also contained in new shared library libMolecuilderFragmentation_ KeySetsContainer.
  • Property mode set to 100644
File size: 2.7 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2012 University of Bonn. 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 * SamplingGrid.cpp
25 *
26 * Created on: 25.07.2012
27 * Author: heber
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35// include headers that implement a archive in simple text format
36// otherwise BOOST_CLASS_EXPORT_IMPLEMENT has no effect
37#include <boost/archive/text_oarchive.hpp>
38#include <boost/archive/text_iarchive.hpp>
39
40#include "CodePatterns/MemDebug.hpp"
41
42#include "Fragmentation/Summation/SetValues/SamplingGridProperties.hpp"
43
44SamplingGridProperties::SamplingGridProperties(
45 const double _begin[3],
46 const double _end[3],
47 const int _level) :
48 level(_level)
49{
50 for(size_t i=0; i<3; ++i) {
51 begin[i] = _begin[i];
52 end[i] = _end[i];
53 }
54}
55
56SamplingGridProperties::SamplingGridProperties(const SamplingGridProperties &_props) :
57 level(_props.level)
58{
59 for(size_t i=0; i<3; ++i) {
60 begin[i] = _props.begin[i];
61 end[i] = _props.end[i];
62 }
63}
64
65SamplingGridProperties::SamplingGridProperties() :
66 level(0)
67{
68 for(size_t i=0; i<3; ++i) {
69 begin[i] = 0.;
70 end[i] = 0.;
71 }
72}
73
74SamplingGridProperties::~SamplingGridProperties()
75{}
76
77SamplingGridProperties& SamplingGridProperties::operator=(const SamplingGridProperties& other)
78{
79 // check for self-assignment
80 if (this != &other) {
81 for(size_t index=0; index<3; ++index) {
82 begin[index] = other.begin[index];
83 end[index] = other.end[index];
84 }
85 level = other.level;
86 }
87 return *this;
88}
89
90bool SamplingGridProperties::operator==(const SamplingGridProperties &_props) const
91{
92 bool status = true;
93 for (size_t i=0; i<3; ++i) {
94 status &= begin[i] == _props.begin[i];
95 status &= end[i] == _props.end[i];
96 }
97 status &= level == _props.level;
98 return status;
99}
100
101// we need to explicitly instantiate the serialization functions as
102// its is only serialized through its base class FragmentJob
103BOOST_CLASS_EXPORT_IMPLEMENT(SamplingGridProperties)
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