[bebafd] | 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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| 4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
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| 5 | *
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| 6 | *
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| 7 | * This file is part of MoleCuilder.
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| 8 | *
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| 9 | * MoleCuilder is free software: you can redistribute it and/or modify
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| 10 | * it under the terms of the GNU General Public License as published by
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| 11 | * the Free Software Foundation, either version 2 of the License, or
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| 12 | * (at your option) any later version.
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| 13 | *
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| 14 | * MoleCuilder is distributed in the hope that it will be useful,
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| 15 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 16 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 17 | * GNU General Public License for more details.
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| 18 | *
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| 19 | * You should have received a copy of the GNU General Public License
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| 20 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
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| 21 | */
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| 22 |
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| 23 | /*
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| 24 | * ShapeFactory.cpp
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| 25 | *
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| 26 | * Created on: Sep 5, 2012
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| 27 | * Author: ankele
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| 28 | */
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| 29 |
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| 30 | // include config.h
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| 31 | #ifdef HAVE_CONFIG_H
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| 32 | #include <config.h>
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| 33 | #endif
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| 34 |
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| 35 | #include "CodePatterns/MemDebug.hpp"
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| 36 |
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| 37 | #include "ShapeFactory.hpp"
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| 38 |
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[192397] | 39 | #include "CodePatterns/Log.hpp"
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| 40 |
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[4477b7] | 41 | #include "BaseShapes.hpp"
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| 42 | #include "ShapeOps.hpp"
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| 43 |
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[bebafd] | 44 | #include "CodePatterns/Singleton_impl.hpp"
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[4477b7] | 45 | #include "LinearAlgebra/Vector.hpp"
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| 46 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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[192397] | 47 | #include "molecule.hpp"
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| 48 | #include "World.hpp"
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[bebafd] | 49 |
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| 50 | ShapeFactory::ShapeFactory()
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| 51 | {
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[6e5d35] | 52 | // Create map (type -> name).
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[315351] | 53 | shapeNameMap[NowhereType] = "nowhere";
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| 54 | shapeNameMap[EverywhereType] = "everywhere";
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| 55 | shapeNameMap[SphereType] = "sphere";
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| 56 | shapeNameMap[CuboidType] = "cube";
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| 57 | shapeNameMap[PolygonType] = "polygon";
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| 58 | shapeNameMap[CombinedType] = "combined";
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| 59 | shapeNameMap[CylinderType] = "cylinder";
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[192397] | 60 | shapeNameMap[MoleculeSurfaceType] = "molecule-surface";
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[6e5d35] | 61 |
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| 62 | // Create inverse map.
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[315351] | 63 | for (ShapeNameMap::iterator iter = shapeNameMap.begin(); iter != shapeNameMap.end(); ++ iter)
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| 64 | nameShapeMap[iter->second] = iter->first;
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[dc438c] | 65 |
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| 66 | // Create baseShapeName list.
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[315351] | 67 | for (ShapeNameMap::iterator iter = shapeNameMap.begin(); iter != shapeNameMap.end(); ++ iter)
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[00eda9] | 68 | if (iter->first != CombinedType)
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[315351] | 69 | baseShapeNames.push_back(iter->second);
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[6e5d35] | 70 | }
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| 71 |
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[d5521e] | 72 | ShapeType ShapeFactory::getShapeByName(const std::string& name) const
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[6e5d35] | 73 | {
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[d5521e] | 74 | NameShapeMap::const_iterator iter = nameShapeMap.find(name);
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[6e5d35] | 75 | ASSERT(iter != nameShapeMap.end(),
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| 76 | "ShapeFactory::getShapeByName() - unknown name: "+name+".");
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| 77 | return iter->second;
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| 78 | }
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| 79 |
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[d5521e] | 80 | std::string ShapeFactory::getShapeName(ShapeType type) const
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[6e5d35] | 81 | {
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[d5521e] | 82 | ShapeNameMap::const_iterator iter = shapeNameMap.find(type);
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[6e5d35] | 83 | ASSERT(iter != shapeNameMap.end(),
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| 84 | "ShapeFactory::getShapeName() - unknown type: "+toString(type)+".");
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| 85 | return iter->second;
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[bebafd] | 86 | }
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| 87 |
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[d5521e] | 88 | bool ShapeFactory::isValidShapeName(const std::string& name) const
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[98d03b] | 89 | {
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[d5521e] | 90 | NameShapeMap::const_iterator iter = nameShapeMap.find(name);
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[98d03b] | 91 | return (iter != nameShapeMap.end());
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| 92 | }
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| 93 |
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[00eda9] | 94 | bool ShapeFactory::isSimpleShape(const ShapeType type) const
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| 95 | {
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| 96 | return ((type != CombinedType) && (type != MoleculeSurfaceType) );
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| 97 | }
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| 98 |
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| 99 | bool ShapeFactory::isSimpleShape(const std::string &name) const
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| 100 | {
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| 101 | return isSimpleShape(getShapeByName(name));
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| 102 | }
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| 103 |
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[d5521e] | 104 | const std::vector<std::string> &ShapeFactory::getBaseShapeNames() const
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[dc438c] | 105 | {
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| 106 | return baseShapeNames;
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| 107 | }
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| 108 |
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[bebafd] | 109 | ShapeFactory::~ShapeFactory()
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| 110 | {
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| 111 | }
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| 112 |
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[842aac] | 113 | Shape ShapeFactory::produce(ShapeType type, const Vector &translation, const Vector &stretch, double angleX, double angleY, double angleZ) const
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[4f041a4] | 114 | {
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[a367b8] | 115 | for (int i=0; i<NDIM; i++){
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| 116 | ASSERT(stretch[i] > 0,
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[842aac] | 117 | "ShapeFactory::setStretch() - non positive component.");
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[a367b8] | 118 | }
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[4f041a4] | 119 |
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[4477b7] | 120 | // Create the basic shape.
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| 121 | Shape s = Nowhere();
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[30421d] | 122 | switch(type){
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| 123 | case NowhereType:
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| 124 | s = Nowhere();
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| 125 | break;
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| 126 | case EverywhereType:
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| 127 | s = Everywhere();
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| 128 | break;
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| 129 | case CuboidType:
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| 130 | s = Cuboid();
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| 131 | break;
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| 132 | case SphereType:
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| 133 | s = Sphere();
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| 134 | break;
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| 135 | case CylinderType:
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| 136 | s = Cylinder();
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| 137 | break;
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[192397] | 138 | case MoleculeSurfaceType:
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| 139 | {
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[99db9b] | 140 | const std::vector<const molecule *> molecules =
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| 141 | const_cast<const World &>(World::getInstance()).getSelectedMolecules();
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[192397] | 142 | if (molecules.empty()) {
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| 143 | ELOG(2, "No molecule is selected, cannot factorize its bounding shape.");
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| 144 | s = Nowhere();
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| 145 | } else {
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| 146 | const molecule * const mol = (*molecules.begin());
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| 147 | LOG(2, "DEBUG: Factoring shape from bounding box of molecule " << mol->getName() << ".");
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| 148 | s = mol->getBoundingShape(stretch[0]);
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| 149 | }
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| 150 | break;
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| 151 | }
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[30421d] | 152 | default:
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| 153 | ASSERT(false,
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| 154 | "ShapeFactory::produce - unhandled shape type: "+toString(type)+".");
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[4477b7] | 155 | }
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| 156 |
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[192397] | 157 | if (type != MoleculeSurfaceType) {
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| 158 | // Transform (if necessary).
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| 159 | if (stretch != Vector(1., 1., 1.))
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| 160 | s = ::stretch(s, stretch);
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| 161 | if ((angleX != 0) || (angleY != 0) || (angleZ != 0)){
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| 162 | RealSpaceMatrix rotation;
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| 163 | rotation.setRotation(angleX, angleY, angleZ);
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| 164 | s = transform(s, rotation);
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| 165 | }
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| 166 | if (!translation.IsZero())
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| 167 | s = translate(s, translation);
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[842aac] | 168 | }
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[4477b7] | 169 |
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| 170 | return s;
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| 171 | }
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| 172 |
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[bebafd] | 173 | CONSTRUCT_SINGLETON(ShapeFactory)
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