| 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<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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| 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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| 154 |   }
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| 155 | 
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| 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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| 167 |   }
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| 168 | 
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| 169 |   return s;
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| 170 | }
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| 171 | 
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| 172 | CONSTRUCT_SINGLETON(ShapeFactory)
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