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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