1 | /*
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2 | * World.hpp
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3 | *
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4 | * Created on: Feb 3, 2010
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5 | * Author: crueger
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6 | */
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7 |
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8 | #ifndef WORLD_HPP_
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9 | #define WORLD_HPP_
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10 |
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11 | /*********************************************** includes ***********************************/
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12 |
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13 | #include <string>
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14 | #include <map>
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15 | #include <vector>
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16 | #include <set>
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17 | #include <boost/thread.hpp>
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18 | #include <boost/shared_ptr.hpp>
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19 |
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20 | #include "types.hpp"
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21 | #include "Descriptors/SelectiveIterator.hpp"
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22 | #include "Patterns/Observer.hpp"
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23 | #include "Patterns/Cacheable.hpp"
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24 | #include "Patterns/Singleton.hpp"
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25 |
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26 | // include config.h
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27 | #ifdef HAVE_CONFIG_H
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28 | #include <config.h>
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29 | #endif
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30 |
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31 | // forward declarations
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32 | class config;
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33 | class periodentafel;
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34 | class MoleculeListClass;
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35 | class atom;
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36 | class molecule;
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37 | class AtomDescriptor;
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38 | class AtomDescriptor_impl;
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39 | class MoleculeDescriptor;
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40 | class MoleculeDescriptor_impl;
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41 | class ManipulateAtomsProcess;
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42 | template<typename T>
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43 | class AtomsCalculation;
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44 |
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45 | /****************************************** forward declarations *****************************/
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46 |
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47 | /********************************************** Class World *******************************/
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48 |
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49 | class World : public Singleton<World>, public Observable
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50 | {
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51 |
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52 | // Make access to constructor and destructor possible from inside the singleton
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53 | friend class Singleton<World>;
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54 |
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55 | // necessary for coupling with descriptors
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56 | friend class AtomDescriptor_impl;
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57 | friend class AtomDescriptor;
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58 | friend class MoleculeDescriptor_impl;
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59 | friend class MoleculeDescriptor;
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60 |
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61 | // Actions, calculations etc associated with the World
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62 | friend class ManipulateAtomsProcess;
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63 | template<typename> friend class AtomsCalculation;
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64 | public:
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65 |
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66 | // Types for Atom and Molecule structures
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67 | typedef std::map<atomId_t,atom*> AtomSet;
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68 | typedef std::map<moleculeId_t,molecule*> MoleculeSet;
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69 |
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70 | /***** getter and setter *****/
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71 | // reference to pointer is used for legacy reason... reference will be removed latter to keep encapsulation of World object
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72 | /**
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73 | * returns the periodentafel for the world.
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74 | */
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75 | periodentafel *&getPeriode();
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76 |
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77 | /**
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78 | * returns the configuration for the world.
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79 | */
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80 | config *&getConfig();
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81 |
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82 | /**
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83 | * returns the first atom that matches a given descriptor.
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84 | * Do not rely on ordering for descriptors that match more than one atom.
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85 | */
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86 | atom* getAtom(AtomDescriptor descriptor);
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87 |
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88 | /**
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89 | * returns a vector containing all atoms that match a given descriptor
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90 | */
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91 | std::vector<atom*> getAllAtoms(AtomDescriptor descriptor);
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92 | std::vector<atom*> getAllAtoms();
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93 |
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94 | /**
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95 | * returns a calculation that calls a given function on all atoms matching a descriptor.
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96 | * the calculation is not called at this point and can be used as an action, i.e. be stored in
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97 | * menus, be kept around for later use etc.
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98 | */
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99 | template<typename T> AtomsCalculation<T>* calcOnAtoms(boost::function<T(atom*)>,std::string,AtomDescriptor);
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100 | template<typename T> AtomsCalculation<T>* calcOnAtoms(boost::function<T(atom*)>,std::string);
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101 |
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102 | /**
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103 | * get the number of atoms in the World
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104 | */
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105 | int numAtoms();
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106 |
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107 | /**
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108 | * returns the first molecule that matches a given descriptor.
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109 | * Do not rely on ordering for descriptors that match more than one molecule.
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110 | */
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111 | molecule *getMolecule(MoleculeDescriptor descriptor);
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112 |
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113 | /**
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114 | * returns a vector containing all molecules that match a given descriptor
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115 | */
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116 | std::vector<molecule*> getAllMolecules(MoleculeDescriptor descriptor);
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117 | std::vector<molecule*> getAllMolecules();
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118 |
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119 | /**
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120 | * get the number of molecules in the World
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121 | */
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122 | int numMolecules();
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123 |
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124 | /**
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125 | * get the domain size as a symmetric matrix (6 components)
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126 | */
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127 | double * getDomain();
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128 |
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129 | /**
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130 | * set the domain size as a symmetric matrix (6 components)
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131 | */
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132 | void setDomain(double * matrix);
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133 |
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134 | /**
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135 | * get the default name
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136 | */
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137 | char * getDefaultName();
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138 |
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139 | /**
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140 | * set the default name
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141 | */
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142 | void setDefaultName(char * name);
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143 |
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144 | /***** Methods to work with the World *****/
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145 |
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146 | /**
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147 | * create a new molecule. This method should be used whenever any kind of molecule is needed. Assigns a unique
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148 | * ID to the molecule and stores it in the World for later retrieval. Do not create molecules directly.
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149 | */
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150 | molecule *createMolecule();
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151 |
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152 | void destroyMolecule(molecule*);
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153 | void destroyMolecule(moleculeId_t);
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154 |
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155 | /**
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156 | * Create a new atom. This method should be used whenever any atom is needed. Assigns a unique ID and stores
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157 | * the atom in the World. If the atom is not destroyed it will automatically be destroyed when the world ends.
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158 | */
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159 | atom *createAtom();
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160 |
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161 | /**
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162 | * Registers a Atom unknown to world. Needed in some rare cases, e.g. when cloning atoms, or in some unittests.
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163 | * Do not re-register Atoms already known to the world since this will cause double-frees.
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164 | */
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165 | int registerAtom(atom*);
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166 |
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167 | /**
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168 | * Delete some atom and erase it from the world. Use this whenever you need to destroy any atom. Do not call delete on
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169 | * atom directly since this will leave the pointer inside the world.
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170 | */
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171 | void destroyAtom(atom*);
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172 |
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173 | /**
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174 | * Delete some atom and erase it from the world. Use this whenever you need to destroy any atom. Do not call delete on
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175 | * atom directly since this will leave the pointer inside the world.
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176 | */
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177 | void destroyAtom(atomId_t);
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178 |
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179 | /**
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180 | * used when changing an atom Id.
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181 | * Unless you are calling this method from inside an atom don't fiddle with the third parameter.
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182 | *
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183 | * Return value indicates wether the change could be done or not.
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184 | */
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185 | bool changeAtomId(atomId_t oldId, atomId_t newId, atom* target=0);
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186 |
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187 | /**
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188 | * Produces a process that calls a function on all Atoms matching a given descriptor. The process is not
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189 | * called at this time, so it can be passed around, stored inside menuItems etc.
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190 | */
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191 | ManipulateAtomsProcess* manipulateAtoms(boost::function<void(atom*)>,std::string,AtomDescriptor);
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192 | ManipulateAtomsProcess* manipulateAtoms(boost::function<void(atom*)>,std::string);
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193 |
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194 | protected:
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195 | /**** Iterators to use internal data structures */
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196 |
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197 | // Atoms
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198 | typedef SelectiveIterator<atom*,AtomSet,AtomDescriptor> AtomIterator;
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199 |
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200 | /**
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201 | * returns an iterator over all Atoms matching a given descriptor.
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202 | * used for internal purposes, like AtomProcesses and AtomCalculations.
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203 | */
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204 | AtomIterator getAtomIter(AtomDescriptor descr);
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205 |
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206 | /**
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207 | * returns an iterator to the end of the AtomSet. Due to overloading this iterator
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208 | * can be compared to iterators produced by getAtomIter (see the mis-matching types).
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209 | * Thus it can be used to detect when such an iterator is at the end of the list.
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210 | * used for internal purposes, like AtomProcesses and AtomCalculations.
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211 | */
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212 | AtomIterator atomEnd();
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213 |
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214 | // Molecules
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215 |
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216 | typedef SelectiveIterator<molecule*,MoleculeSet,MoleculeDescriptor> MoleculeIterator;
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217 |
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218 | /**
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219 | * returns an iterator over all Molecules matching a given descriptor.
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220 | * used for internal purposes, like MoleculeProcesses and MoleculeCalculations.
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221 | */
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222 | MoleculeIterator getMoleculeIter(MoleculeDescriptor descr);
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223 |
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224 | /**
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225 | * returns an iterator to the end of the MoleculeSet. Due to overloading this iterator
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226 | * can be compared to iterators produced by getMoleculeIter (see the mis-matching types).
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227 | * Thus it can be used to detect when such an iterator is at the end of the list.
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228 | * used for internal purposes, like MoleculeProcesses and MoleculeCalculations.
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229 | */
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230 | MoleculeIterator moleculeEnd();
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231 |
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232 |
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233 | /******* Internal manipulation routines for double callback and Observer mechanism ******/
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234 | void doManipulate(ManipulateAtomsProcess *);
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235 |
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236 | private:
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237 |
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238 | atomId_t getNextAtomId();
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239 | void releaseAtomId(atomId_t);
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240 | bool reserveAtomId(atomId_t);
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241 |
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242 | periodentafel *periode;
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243 | config *configuration;
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244 | static double *cell_size;
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245 | static char *defaultName;
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246 | public:
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247 | AtomSet atoms;
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248 | private:
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249 | std::set<atomId_t> atomIdPool; //<!stores the pool for all available AtomIds below currAtomId
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250 | atomId_t currAtomId; //!< stores the next available Id for atoms
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251 | MoleculeSet molecules;
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252 | moleculeId_t currMoleculeId;
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253 | private:
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254 | /**
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255 | * private constructor to ensure creation of the world using
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256 | * the singleton pattern.
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257 | */
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258 | World();
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259 |
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260 | /**
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261 | * private destructor to ensure destruction of the world using the
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262 | * singleton pattern.
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263 | */
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264 | virtual ~World();
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265 |
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266 | /*****
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267 | * some legacy stuff that is include for now but will be removed later
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268 | *****/
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269 | public:
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270 | MoleculeListClass *&getMolecules();
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271 |
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272 | private:
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273 | MoleculeListClass *molecules_deprecated;
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274 | };
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275 |
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276 | #endif /* WORLD_HPP_ */
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