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