source: src/atom_bondedparticleinfo.cpp@ 61749d1

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Last change on this file since 61749d1 was 38c44b, checked in by Frederik Heber <heber@…>, 15 years ago

Added verbosity to AppendTrajectoryStep() of BondedParticle.
  • Property mode set to 100644
File size: 2.3 KB
Line 
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
8/*
9 * atom_bondedparticleinfo.cpp
10 *
11 * Created on: Oct 19, 2009
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "CodePatterns/MemDebug.hpp"
21
22#include "CodePatterns/Assert.hpp"
23#include "CodePatterns/Log.hpp"
24
25#include "WorldTime.hpp"
26
27#include "atom_bondedparticleinfo.hpp"
28
29/** Constructor of class BondedParticleInfo.
30 */
31BondedParticleInfo::BondedParticleInfo() :
32 AdaptiveOrder(0),
33 MaxOrder(false)
34{}
35
36/** Destructor of class BondedParticleInfo.
37 */
38BondedParticleInfo::~BondedParticleInfo()
39{}
40
41void BondedParticleInfo::AppendTrajectoryStep()
42{
43 ListOfBonds.push_back(BondList());
44 LOG(5,"BondedParticleInfo::AppendTrajectoryStep() called, size is " << ListOfBonds.size());
45}
46
47const BondList& BondedParticleInfo::getListOfBonds() const
48{
49 ASSERT(WorldTime::getTime() < ListOfBonds.size(),
50 "BondedParticleInfo::getBondsAtStep() - Access out of range: "
51 +toString(WorldTime::getTime())
52 +" not in [0,"+toString(ListOfBonds.size())+").");
53 return ListOfBonds[WorldTime::getTime()];
54}
55
56BondList& BondedParticleInfo::getListOfBonds()
57{
58 const unsigned int size = ListOfBonds.size();
59 ASSERT(WorldTime::getTime() <= size,
60 "BondedParticleInfo::getBondsAtStep() - Access out of range: "
61 +toString(WorldTime::getTime())
62 +" not in [0,"+toString(size)+"].");
63 if (WorldTime::getTime() == size) {
64 UpdateSteps();
65 }
66 return ListOfBonds[WorldTime::getTime()];
67}
68
69const BondList& BondedParticleInfo::getListOfBondsAtStep(unsigned int _step) const
70{
71 ASSERT(_step < ListOfBonds.size(),
72 "BondedParticleInfo::getBondsAtStep() - Access out of range: "
73 +toString(_step)
74 +" not in [0,"+toString(ListOfBonds.size())+").");
75 return ListOfBonds[_step];
76}
77
78BondList& BondedParticleInfo::getListOfBondsAtStep(unsigned int _step)
79{
80 const unsigned int size = ListOfBonds.size();
81 ASSERT(_step <= size,
82 "BondedParticleInfo::getBondsAtStep() - Access out of range: "
83 +toString(_step)
84 +" not in [0,"+toString(size)+"].");
85 if (_step == size) {
86 UpdateSteps();
87 }
88 return ListOfBonds[_step];
89}
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