| [794bc8] | 1 | /* | 
|---|
|  | 2 | * Project: MoleCuilder | 
|---|
|  | 3 | * Description: creates and alters molecular systems | 
|---|
| [0aa122] | 4 | * Copyright (C)  2012 University of Bonn. All rights reserved. | 
|---|
| [94d5ac6] | 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/>. | 
|---|
| [794bc8] | 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 | */ | 
|---|
| [029870] | 72 | void LinkedCell::LinkedCell::addPoint(const TesselPoint *point) | 
|---|
| [794bc8] | 73 | { | 
|---|
| [7daf73] | 74 | push_back(point); | 
|---|
| [794bc8] | 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 | { | 
|---|
| [7daf73] | 86 | LinkedList::iterator iter = std::find(begin(), end(), point); | 
|---|
| [794bc8] | 87 | ASSERT( iter != end(), | 
|---|
|  | 88 | "LinkedCell::LinkedCell::deletePoint() - "+toString(*point)+" not present in this cell."); | 
|---|
|  | 89 | if (iter != end()) | 
|---|
|  | 90 | erase(iter); | 
|---|
|  | 91 | } | 
|---|