| 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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| 39 | #include "CodePatterns/Log.hpp" | 
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| 40 |  | 
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| 41 | #include "BaseShapes.hpp" | 
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| 42 | #include "ShapeOps.hpp" | 
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| 43 |  | 
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| 44 | #include "CodePatterns/Singleton_impl.hpp" | 
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| 45 | #include "LinearAlgebra/Vector.hpp" | 
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| 46 | #include "LinearAlgebra/RealSpaceMatrix.hpp" | 
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| 47 | #include "molecule.hpp" | 
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| 48 | #include "World.hpp" | 
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| 49 |  | 
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| 50 | ShapeFactory::ShapeFactory() | 
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| 51 | { | 
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| 52 | // Create map (type -> name). | 
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| 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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| 60 | shapeNameMap[MoleculeSurfaceType] = "molecule-surface"; | 
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| 61 |  | 
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| 62 | // Create inverse map. | 
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| 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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| 65 |  | 
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| 66 | // Create baseShapeName list. | 
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| 67 | for (ShapeNameMap::iterator iter = shapeNameMap.begin(); iter != shapeNameMap.end(); ++ iter) | 
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| 68 | if (iter->first != CombinedType) | 
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| 69 | baseShapeNames.push_back(iter->second); | 
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| 70 | } | 
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| 71 |  | 
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| 72 | ShapeType ShapeFactory::getShapeByName(const std::string& name) const | 
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| 73 | { | 
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| 74 | NameShapeMap::const_iterator iter = nameShapeMap.find(name); | 
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| 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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| 80 | std::string ShapeFactory::getShapeName(ShapeType type) const | 
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| 81 | { | 
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| 82 | ShapeNameMap::const_iterator iter = shapeNameMap.find(type); | 
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| 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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| 86 | } | 
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| 87 |  | 
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| 88 | bool ShapeFactory::isValidShapeName(const std::string& name) const | 
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| 89 | { | 
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| 90 | NameShapeMap::const_iterator iter = nameShapeMap.find(name); | 
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| 91 | return (iter != nameShapeMap.end()); | 
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| 92 | } | 
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| 93 |  | 
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| 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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| 104 | const std::vector<std::string> &ShapeFactory::getBaseShapeNames() const | 
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| 105 | { | 
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| 106 | return baseShapeNames; | 
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| 107 | } | 
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| 108 |  | 
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| 109 | ShapeFactory::~ShapeFactory() | 
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| 110 | { | 
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| 111 | } | 
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| 112 |  | 
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| 113 | Shape ShapeFactory::produce(ShapeType type, const Vector &translation, const Vector &stretch, double angleX, double angleY, double angleZ) const | 
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| 114 | { | 
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| 115 | for (int i=0; i<NDIM; i++){ | 
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| 116 | ASSERT(stretch[i] > 0, | 
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| 117 | "ShapeFactory::setStretch() - non positive component."); | 
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| 118 | } | 
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| 119 |  | 
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| 120 | // Create the basic shape. | 
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| 121 | Shape s = Nowhere(); | 
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| 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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| 138 | case MoleculeSurfaceType: | 
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| 139 | { | 
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| 140 | const std::vector<const molecule *> molecules = | 
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| 141 | const_cast<const World &>(World::getInstance()).getSelectedMolecules(); | 
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| 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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| 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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| 155 | } | 
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| 156 |  | 
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| 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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| 168 | } | 
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| 169 |  | 
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| 170 | return s; | 
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| 171 | } | 
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| 172 |  | 
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| 173 | CONSTRUCT_SINGLETON(ShapeFactory) | 
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