source: src/atom_bondedparticleinfo.cpp@ a2bdbe

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Last change on this file since a2bdbe was 9d83b6, checked in by Frederik Heber <heber@…>, 14 years ago

BondedParticleInfo now has vector<BondList>

  • vector<BondList> ListOfBonds is private, getter for (non-)const access.
  • Access everywhere to ListOfBonds replaced by respective getter.
  • Access is as of now always to time step zero.
  • greatest impact is on molecule... files, and ListOfBondsUnitTest.
  • Property mode set to 100644
File size: 2.1 KB
RevLine 
[bcf653]1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
[6b919f8]8/*
9 * atom_bondedparticleinfo.cpp
10 *
11 * Created on: Oct 19, 2009
12 * Author: heber
13 */
14
[bf3817]15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
[ad011c]20#include "CodePatterns/MemDebug.hpp"
[112b09]21
[9d83b6]22#include "CodePatterns/Assert.hpp"
23
24#include "WorldTime.hpp"
25
[6b919f8]26#include "atom_bondedparticleinfo.hpp"
27
28/** Constructor of class BondedParticleInfo.
29 */
[97b825]30BondedParticleInfo::BondedParticleInfo() :
31 AdaptiveOrder(0),
32 MaxOrder(false)
[9d83b6]33{}
[6b919f8]34
35/** Destructor of class BondedParticleInfo.
36 */
37BondedParticleInfo::~BondedParticleInfo()
[9d83b6]38{}
39
40const BondList& BondedParticleInfo::getListOfBonds() const
41{
42 ASSERT(WorldTime::getTime() < ListOfBonds.size(),
43 "BondedParticleInfo::getBondsAtStep() - Access out of range: "
44 +toString(WorldTime::getTime())
45 +" not in [0,"+toString(ListOfBonds.size())+").");
46 return ListOfBonds[WorldTime::getTime()];
47}
48
49BondList& BondedParticleInfo::getListOfBonds()
50{
51 const unsigned int size = ListOfBonds.size();
52 ASSERT(WorldTime::getTime() <= size,
53 "BondedParticleInfo::getBondsAtStep() - Access out of range: "
54 +toString(WorldTime::getTime())
55 +" not in [0,"+toString(size)+"].");
56 if (WorldTime::getTime() == size) {
57 ListOfBonds.push_back(BondList());
58 }
59 return ListOfBonds[WorldTime::getTime()];
60}
61
62const BondList& BondedParticleInfo::getListOfBondsAtStep(unsigned int _step) const
[6b919f8]63{
[9d83b6]64 ASSERT(_step < ListOfBonds.size(),
65 "BondedParticleInfo::getBondsAtStep() - Access out of range: "
66 +toString(WorldTime::getTime())
67 +" not in [0,"+toString(ListOfBonds.size())+").");
68 return ListOfBonds[_step];
69}
[6b919f8]70
[9d83b6]71BondList& BondedParticleInfo::getListOfBondsAtStep(unsigned int _step)
72{
73 const unsigned int size = ListOfBonds.size();
74 ASSERT(_step <= size,
75 "BondedParticleInfo::getBondsAtStep() - Access out of range: "
76 +toString(_step)
77 +" not in [0,"+toString(size)+"].");
78 if (_step == size) {
79 ListOfBonds.push_back(BondList());
80 }
81 return ListOfBonds[_step];
82}
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