| [5d1611] | 1 | /* | 
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|  | 2 | * World.cpp | 
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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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| [112b09] | 8 | #include "Helpers/MemDebug.hpp" | 
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|  | 9 |  | 
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| [5d1611] | 10 | #include "World.hpp" | 
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|  | 11 |  | 
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| [d346b6] | 12 | #include "atom.hpp" | 
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| [8e1f7af] | 13 | #include "config.hpp" | 
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| [354859] | 14 | #include "molecule.hpp" | 
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|  | 15 | #include "periodentafel.hpp" | 
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| [fc1b24] | 16 | #include "Descriptors/AtomDescriptor.hpp" | 
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| [865a945] | 17 | #include "Descriptors/AtomDescriptor_impl.hpp" | 
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| [1c51c8] | 18 | #include "Descriptors/MoleculeDescriptor.hpp" | 
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|  | 19 | #include "Descriptors/MoleculeDescriptor_impl.hpp" | 
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| [6e97e5] | 20 | #include "Descriptors/SelectiveIterator_impl.hpp" | 
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| [7c4e29] | 21 | #include "Actions/ManipulateAtomsProcess.hpp" | 
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| [d346b6] | 22 |  | 
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| [23b547] | 23 | #include "Patterns/Singleton_impl.hpp" | 
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|  | 24 |  | 
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| [d346b6] | 25 | using namespace std; | 
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| [4d9c01] | 26 |  | 
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| [5d1611] | 27 | /******************************* getter and setter ************************/ | 
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| [354859] | 28 | periodentafel *&World::getPeriode(){ | 
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| [5d1611] | 29 | return periode; | 
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|  | 30 | } | 
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|  | 31 |  | 
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| [8e1f7af] | 32 | config *&World::getConfig(){ | 
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|  | 33 | return configuration; | 
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|  | 34 | } | 
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|  | 35 |  | 
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| [1c51c8] | 36 | // Atoms | 
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|  | 37 |  | 
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| [7a1ce5] | 38 | atom* World::getAtom(AtomDescriptor descriptor){ | 
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| [fc1b24] | 39 | return descriptor.find(); | 
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|  | 40 | } | 
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|  | 41 |  | 
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| [7a1ce5] | 42 | vector<atom*> World::getAllAtoms(AtomDescriptor descriptor){ | 
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| [fc1b24] | 43 | return descriptor.findAll(); | 
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|  | 44 | } | 
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|  | 45 |  | 
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| [0e2a47] | 46 | vector<atom*> World::getAllAtoms(){ | 
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|  | 47 | return getAllAtoms(AllAtoms()); | 
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|  | 48 | } | 
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|  | 49 |  | 
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| [354859] | 50 | int World::numAtoms(){ | 
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|  | 51 | return atoms.size(); | 
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|  | 52 | } | 
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|  | 53 |  | 
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| [1c51c8] | 54 | // Molecules | 
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|  | 55 |  | 
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|  | 56 | molecule *World::getMolecule(MoleculeDescriptor descriptor){ | 
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|  | 57 | return descriptor.find(); | 
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|  | 58 | } | 
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|  | 59 |  | 
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|  | 60 | std::vector<molecule*> World::getAllMolecules(MoleculeDescriptor descriptor){ | 
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|  | 61 | return descriptor.findAll(); | 
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|  | 62 | } | 
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|  | 63 |  | 
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| [97ebf8] | 64 | std::vector<molecule*> World::getAllMolecules(){ | 
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|  | 65 | return getAllMolecules(AllMolecules()); | 
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|  | 66 | } | 
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|  | 67 |  | 
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| [354859] | 68 | int World::numMolecules(){ | 
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|  | 69 | return molecules_deprecated->ListOfMolecules.size(); | 
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|  | 70 | } | 
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|  | 71 |  | 
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| [5f612ee] | 72 | // system | 
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|  | 73 |  | 
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|  | 74 | double * World::getDomain() { | 
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|  | 75 | return cell_size; | 
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|  | 76 | } | 
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|  | 77 |  | 
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|  | 78 | void World::setDomain(double * matrix) | 
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|  | 79 | { | 
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|  | 80 |  | 
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|  | 81 | } | 
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|  | 82 |  | 
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| [387b36] | 83 | std::string World::getDefaultName() { | 
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| [5f612ee] | 84 | return defaultName; | 
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|  | 85 | } | 
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|  | 86 |  | 
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| [387b36] | 87 | void World::setDefaultName(std::string name) | 
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| [5f612ee] | 88 | { | 
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| [387b36] | 89 | defaultName = name; | 
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| [5f612ee] | 90 | }; | 
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|  | 91 |  | 
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| [e4b5de] | 92 | int World::getExitFlag() { | 
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|  | 93 | return ExitFlag; | 
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|  | 94 | } | 
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|  | 95 |  | 
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|  | 96 | void World::setExitFlag(int flag) { | 
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|  | 97 | if (ExitFlag < flag) | 
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|  | 98 | ExitFlag = flag; | 
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|  | 99 | } | 
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| [5f612ee] | 100 |  | 
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| [afb47f] | 101 | /******************** Methods to change World state *********************/ | 
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|  | 102 |  | 
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| [354859] | 103 | molecule* World::createMolecule(){ | 
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|  | 104 | OBSERVE; | 
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|  | 105 | molecule *mol = NULL; | 
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| [cbc5fb] | 106 | mol = NewMolecule(); | 
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| [d2dbac0] | 107 | assert(!molecules.count(currMoleculeId)); | 
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| [cbc5fb] | 108 | mol->setId(currMoleculeId++); | 
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| [244d26] | 109 | // store the molecule by ID | 
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| [cbc5fb] | 110 | molecules[mol->getId()] = mol; | 
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| [354859] | 111 | mol->signOn(this); | 
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|  | 112 | return mol; | 
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|  | 113 | } | 
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|  | 114 |  | 
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| [cbc5fb] | 115 | void World::destroyMolecule(molecule* mol){ | 
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|  | 116 | OBSERVE; | 
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|  | 117 | destroyMolecule(mol->getId()); | 
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|  | 118 | } | 
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|  | 119 |  | 
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|  | 120 | void World::destroyMolecule(moleculeId_t id){ | 
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|  | 121 | OBSERVE; | 
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|  | 122 | molecule *mol = molecules[id]; | 
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|  | 123 | assert(mol); | 
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|  | 124 | DeleteMolecule(mol); | 
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|  | 125 | molecules.erase(id); | 
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|  | 126 | } | 
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|  | 127 |  | 
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| [5f612ee] | 128 | double *World::cell_size = NULL; | 
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| [7c4e29] | 129 |  | 
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| [46d958] | 130 | atom *World::createAtom(){ | 
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|  | 131 | OBSERVE; | 
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| [88d586] | 132 | atomId_t id = getNextAtomId(); | 
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|  | 133 | atom *res = NewAtom(id); | 
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| [46d958] | 134 | res->setWorld(this); | 
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| [244d26] | 135 | // store the atom by ID | 
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| [46d958] | 136 | atoms[res->getId()] = res; | 
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|  | 137 | return res; | 
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|  | 138 | } | 
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|  | 139 |  | 
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| [5f612ee] | 140 |  | 
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| [46d958] | 141 | int World::registerAtom(atom *atom){ | 
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|  | 142 | OBSERVE; | 
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| [88d586] | 143 | atomId_t id = getNextAtomId(); | 
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|  | 144 | atom->setId(id); | 
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| [46d958] | 145 | atom->setWorld(this); | 
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|  | 146 | atoms[atom->getId()] = atom; | 
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|  | 147 | return atom->getId(); | 
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|  | 148 | } | 
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|  | 149 |  | 
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|  | 150 | void World::destroyAtom(atom* atom){ | 
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|  | 151 | OBSERVE; | 
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|  | 152 | int id = atom->getId(); | 
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|  | 153 | destroyAtom(id); | 
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|  | 154 | } | 
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|  | 155 |  | 
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| [cbc5fb] | 156 | void World::destroyAtom(atomId_t id) { | 
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| [46d958] | 157 | OBSERVE; | 
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|  | 158 | atom *atom = atoms[id]; | 
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|  | 159 | assert(atom); | 
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|  | 160 | DeleteAtom(atom); | 
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|  | 161 | atoms.erase(id); | 
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| [88d586] | 162 | releaseAtomId(id); | 
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|  | 163 | } | 
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|  | 164 |  | 
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|  | 165 | bool World::changeAtomId(atomId_t oldId, atomId_t newId, atom* target){ | 
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|  | 166 | OBSERVE; | 
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|  | 167 | // in case this call did not originate from inside the atom, we redirect it, | 
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|  | 168 | // to also let it know that it has changed | 
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|  | 169 | if(!target){ | 
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|  | 170 | target = atoms[oldId]; | 
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|  | 171 | assert(target && "Atom with that ID not found"); | 
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|  | 172 | return target->changeId(newId); | 
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|  | 173 | } | 
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|  | 174 | else{ | 
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|  | 175 | if(reserveAtomId(newId)){ | 
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|  | 176 | atoms.erase(oldId); | 
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|  | 177 | atoms.insert(pair<atomId_t,atom*>(newId,target)); | 
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|  | 178 | return true; | 
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|  | 179 | } | 
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|  | 180 | else{ | 
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|  | 181 | return false; | 
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|  | 182 | } | 
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|  | 183 | } | 
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| [46d958] | 184 | } | 
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|  | 185 |  | 
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| [7c4e29] | 186 | ManipulateAtomsProcess* World::manipulateAtoms(boost::function<void(atom*)> op,std::string name,AtomDescriptor descr){ | 
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|  | 187 | return new ManipulateAtomsProcess(op, descr,name,true); | 
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|  | 188 | } | 
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|  | 189 |  | 
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| [0e2a47] | 190 | ManipulateAtomsProcess* World::manipulateAtoms(boost::function<void(atom*)> op,std::string name){ | 
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|  | 191 | return manipulateAtoms(op,name,AllAtoms()); | 
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|  | 192 | } | 
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|  | 193 |  | 
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| [afb47f] | 194 | /********************* Internal Change methods for double Callback and Observer mechanism ********/ | 
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|  | 195 |  | 
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|  | 196 | void World::doManipulate(ManipulateAtomsProcess *proc){ | 
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|  | 197 | proc->signOn(this); | 
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|  | 198 | { | 
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|  | 199 | OBSERVE; | 
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|  | 200 | proc->doManipulate(this); | 
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|  | 201 | } | 
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|  | 202 | proc->signOff(this); | 
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|  | 203 | } | 
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| [88d586] | 204 | /******************************* IDManagement *****************************/ | 
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|  | 205 |  | 
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| [57adc7] | 206 | // Atoms | 
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|  | 207 |  | 
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| [88d586] | 208 | atomId_t World::getNextAtomId(){ | 
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|  | 209 | // see if we can reuse some Id | 
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|  | 210 | if(atomIdPool.empty()){ | 
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|  | 211 | return currAtomId++; | 
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|  | 212 | } | 
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|  | 213 | else{ | 
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|  | 214 | // we give out the first ID from the pool | 
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|  | 215 | atomId_t id = *(atomIdPool.begin()); | 
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|  | 216 | atomIdPool.erase(id); | 
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| [23b547] | 217 | return id; | 
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| [88d586] | 218 | } | 
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|  | 219 | } | 
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|  | 220 |  | 
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|  | 221 | void World::releaseAtomId(atomId_t id){ | 
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|  | 222 | atomIdPool.insert(id); | 
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|  | 223 | // defragmentation of the pool | 
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|  | 224 | set<atomId_t>::reverse_iterator iter; | 
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|  | 225 | // go through all Ids in the pool that lie immediately below the border | 
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|  | 226 | while(!atomIdPool.empty() && *(atomIdPool.rbegin())==(currAtomId-1)){ | 
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|  | 227 | atomIdPool.erase(--currAtomId); | 
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|  | 228 | } | 
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|  | 229 | } | 
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| [afb47f] | 230 |  | 
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| [88d586] | 231 | bool World::reserveAtomId(atomId_t id){ | 
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|  | 232 | if(id>=currAtomId ){ | 
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|  | 233 | // add all ids between the new one and current border as available | 
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|  | 234 | for(atomId_t pos=currAtomId; pos<id; ++pos){ | 
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|  | 235 | atomIdPool.insert(pos); | 
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|  | 236 | } | 
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|  | 237 | currAtomId=id+1; | 
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|  | 238 | return true; | 
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|  | 239 | } | 
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|  | 240 | else if(atomIdPool.count(id)){ | 
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|  | 241 | atomIdPool.erase(id); | 
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|  | 242 | return true; | 
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|  | 243 | } | 
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|  | 244 | else{ | 
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|  | 245 | // this ID could not be reserved | 
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|  | 246 | return false; | 
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|  | 247 | } | 
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|  | 248 | } | 
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| [57adc7] | 249 |  | 
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|  | 250 | // Molecules | 
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|  | 251 |  | 
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| [865a945] | 252 | /******************************* Iterators ********************************/ | 
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|  | 253 |  | 
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| [6e97e5] | 254 | // Build the AtomIterator from template | 
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|  | 255 | CONSTRUCT_SELECTIVE_ITERATOR(atom*,World::AtomSet,AtomDescriptor); | 
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|  | 256 |  | 
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| [865a945] | 257 |  | 
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|  | 258 | World::AtomIterator World::getAtomIter(AtomDescriptor descr){ | 
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| [6e97e5] | 259 | return AtomIterator(descr,atoms); | 
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| [865a945] | 260 | } | 
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| [354859] | 261 |  | 
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| [6e97e5] | 262 | World::AtomIterator World::atomEnd(){ | 
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|  | 263 | return AtomIterator(AllAtoms(),atoms,atoms.end()); | 
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| [7c4e29] | 264 | } | 
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|  | 265 |  | 
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| [6e97e5] | 266 | // build the MoleculeIterator from template | 
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|  | 267 | CONSTRUCT_SELECTIVE_ITERATOR(molecule*,World::MoleculeSet,MoleculeDescriptor); | 
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|  | 268 |  | 
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| [1c51c8] | 269 | World::MoleculeIterator World::getMoleculeIter(MoleculeDescriptor descr){ | 
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| [6e97e5] | 270 | return MoleculeIterator(descr,molecules); | 
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| [1c51c8] | 271 | } | 
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|  | 272 |  | 
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| [6e97e5] | 273 | World::MoleculeIterator World::moleculeEnd(){ | 
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|  | 274 | return MoleculeIterator(AllMolecules(),molecules,molecules.end()); | 
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| [1c51c8] | 275 | } | 
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|  | 276 |  | 
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| [5d1611] | 277 | /******************************* Singleton Stuff **************************/ | 
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|  | 278 |  | 
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| [7a1ce5] | 279 | World::World() : | 
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| [cd5047] | 280 | Observable("World"), | 
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| [354859] | 281 | periode(new periodentafel), | 
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| [8e1f7af] | 282 | configuration(new config), | 
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| [e4b5de] | 283 | ExitFlag(0), | 
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| [d2dbac0] | 284 | atoms(), | 
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| [24a5e0] | 285 | currAtomId(0), | 
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|  | 286 | molecules(), | 
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|  | 287 | currMoleculeId(0), | 
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|  | 288 | molecules_deprecated(new MoleculeListClass(this)) | 
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| [7dad10] | 289 | { | 
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| [b34306] | 290 | cell_size = new double[6]; | 
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| [fd179f] | 291 | cell_size[0] = 20.; | 
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|  | 292 | cell_size[1] = 0.; | 
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|  | 293 | cell_size[2] = 20.; | 
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|  | 294 | cell_size[3] = 0.; | 
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|  | 295 | cell_size[4] = 0.; | 
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|  | 296 | cell_size[5] = 20.; | 
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| [387b36] | 297 | defaultName = "none"; | 
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| [7dad10] | 298 | molecules_deprecated->signOn(this); | 
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|  | 299 | } | 
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| [5d1611] | 300 |  | 
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|  | 301 | World::~World() | 
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| [354859] | 302 | { | 
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| [028c2e] | 303 | molecules_deprecated->signOff(this); | 
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| [5f612ee] | 304 | delete[] cell_size; | 
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| [46d958] | 305 | delete molecules_deprecated; | 
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| [354859] | 306 | delete periode; | 
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| [8e1f7af] | 307 | delete configuration; | 
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| [cbc5fb] | 308 | MoleculeSet::iterator molIter; | 
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|  | 309 | for(molIter=molecules.begin();molIter!=molecules.end();++molIter){ | 
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|  | 310 | DeleteMolecule((*molIter).second); | 
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|  | 311 | } | 
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|  | 312 | molecules.clear(); | 
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|  | 313 | AtomSet::iterator atIter; | 
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|  | 314 | for(atIter=atoms.begin();atIter!=atoms.end();++atIter){ | 
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|  | 315 | DeleteAtom((*atIter).second); | 
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| [46d958] | 316 | } | 
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|  | 317 | atoms.clear(); | 
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| [354859] | 318 | } | 
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| [5d1611] | 319 |  | 
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| [23b547] | 320 | // Explicit instantiation of the singleton mechanism at this point | 
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| [5d1611] | 321 |  | 
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| [23b547] | 322 | CONSTRUCT_SINGLETON(World) | 
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| [5d1611] | 323 |  | 
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|  | 324 | /******************************* deprecated Legacy Stuff ***********************/ | 
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|  | 325 |  | 
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| [354859] | 326 | MoleculeListClass *&World::getMolecules() { | 
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|  | 327 | return molecules_deprecated; | 
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| [5d1611] | 328 | } | 
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