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 | * LinkedCell.cpp
|
---|
25 | *
|
---|
26 | * Created on: Nov 15, 2011
|
---|
27 | * Author: heber
|
---|
28 | */
|
---|
29 |
|
---|
30 | // include config.h
|
---|
31 | #ifdef HAVE_CONFIG_H
|
---|
32 | #include <config.h>
|
---|
33 | #endif
|
---|
34 |
|
---|
35 | #include "LinkedCell/types.hpp"
|
---|
36 |
|
---|
37 | //#include "CodePatterns/MemDebug.hpp"
|
---|
38 |
|
---|
39 | #include <algorithm>
|
---|
40 |
|
---|
41 | #include "CodePatterns/Assert.hpp"
|
---|
42 | #include "LinkedCell/LinkedCell.hpp"
|
---|
43 | #include "Atom/TesselPoint.hpp"
|
---|
44 |
|
---|
45 |
|
---|
46 | LinkedCell::LinkedCell::LinkedCell(const tripleIndex &_indices) :
|
---|
47 | indices(_indices)
|
---|
48 | {}
|
---|
49 |
|
---|
50 | LinkedCell::LinkedCell::~LinkedCell()
|
---|
51 | {
|
---|
52 | // prevent us from deleting any contained points
|
---|
53 | clear();
|
---|
54 | }
|
---|
55 |
|
---|
56 | const LinkedCell::tripleIndex& LinkedCell::LinkedCell::getIndices() const
|
---|
57 | {
|
---|
58 | return indices;
|
---|
59 | }
|
---|
60 |
|
---|
61 | const LinkedCell::LinkedCellArray::index& LinkedCell::LinkedCell::getIndex(const size_t index) const
|
---|
62 | {
|
---|
63 | ASSERT((index >=0) && (index <=2),
|
---|
64 | "LinkedCell::getIndex() - given index "+toString(index)+" is out of bounds [0,2].");
|
---|
65 | return indices[index];
|
---|
66 | }
|
---|
67 |
|
---|
68 | /** Add \a *point to this LinkedCell.
|
---|
69 | *
|
---|
70 | * @param point point to add
|
---|
71 | */
|
---|
72 | void LinkedCell::LinkedCell::addPoint(const TesselPoint *point)
|
---|
73 | {
|
---|
74 | push_back(point);
|
---|
75 | }
|
---|
76 |
|
---|
77 |
|
---|
78 | /** Remove \a *point from this LinkedCell.
|
---|
79 | *
|
---|
80 | * We do nothing if point is not found.
|
---|
81 | *
|
---|
82 | * @param point point to remove
|
---|
83 | */
|
---|
84 | void LinkedCell::LinkedCell::deletePoint(const TesselPoint *point)
|
---|
85 | {
|
---|
86 | LinkedList::iterator iter = std::find(begin(), end(), point);
|
---|
87 | ASSERT( iter != end(),
|
---|
88 | "LinkedCell::LinkedCell::deletePoint() - "+toString(*point)+" not present in this cell.");
|
---|
89 | if (iter != end())
|
---|
90 | erase(iter);
|
---|
91 | }
|
---|