| [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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 | 140 |       const std::vector<molecule *> molecules = World::getInstance().getSelectedMolecules();
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 | 141 |       if (molecules.empty()) {
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 | 142 |         ELOG(2, "No molecule is selected, cannot factorize its bounding shape.");
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 | 143 |         s = Nowhere();
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 | 144 |       } else {
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 | 145 |         const molecule * const mol = (*molecules.begin());
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 | 146 |         LOG(2, "DEBUG: Factoring shape from bounding box of molecule " << mol->getName() << ".");
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 | 147 |         s = mol->getBoundingShape(stretch[0]);
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 | 148 |       }
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 | 149 |       break;
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 | 150 |     }
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| [30421d] | 151 |     default:
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 | 152 |       ASSERT(false,
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 | 153 |           "ShapeFactory::produce - unhandled shape type: "+toString(type)+".");
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| [4477b7] | 154 |   }
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 | 155 | 
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| [192397] | 156 |   if (type != MoleculeSurfaceType) {
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 | 157 |     // Transform (if necessary).
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 | 158 |     if (stretch != Vector(1., 1., 1.))
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 | 159 |       s = ::stretch(s, stretch);
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 | 160 |     if ((angleX != 0) || (angleY != 0) || (angleZ != 0)){
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 | 161 |       RealSpaceMatrix rotation;
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 | 162 |       rotation.setRotation(angleX, angleY, angleZ);
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 | 163 |       s = transform(s, rotation);
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 | 164 |     }
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 | 165 |     if (!translation.IsZero())
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 | 166 |       s = translate(s, translation);
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| [842aac] | 167 |   }
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| [4477b7] | 168 | 
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 | 169 |   return s;
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 | 170 | }
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 | 171 | 
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| [bebafd] | 172 | CONSTRUCT_SINGLETON(ShapeFactory)
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