source: src/World.cpp@ e30ce8

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Last change on this file since e30ce8 was 93d732b, checked in by Frederik Heber <heber@…>, 15 years ago

Added case '-X' (default mol name) to testsuite and bugfix.

  • rewrote World::SetDefaultName() a bit to make memory allocation more fail-proof
  • BUGFIX: ParseCommandLineOptions() used getDefaultName() with a *, hence only the first character was printed.
  • Property mode set to 100644
File size: 7.3 KB
Line 
1/*
2 * World.cpp
3 *
4 * Created on: Feb 3, 2010
5 * Author: crueger
6 */
7
8#include "World.hpp"
9
10#include "atom.hpp"
11#include "config.hpp"
12#include "molecule.hpp"
13#include "periodentafel.hpp"
14#include "Descriptors/AtomDescriptor.hpp"
15#include "Descriptors/AtomDescriptor_impl.hpp"
16#include "Descriptors/MoleculeDescriptor.hpp"
17#include "Descriptors/MoleculeDescriptor_impl.hpp"
18#include "Descriptors/SelectiveIterator_impl.hpp"
19#include "Actions/ManipulateAtomsProcess.hpp"
20
21#include "Patterns/Singleton_impl.hpp"
22
23using namespace std;
24
25/******************************* getter and setter ************************/
26periodentafel *&World::getPeriode(){
27 return periode;
28}
29
30config *&World::getConfig(){
31 return configuration;
32}
33
34// Atoms
35
36atom* World::getAtom(AtomDescriptor descriptor){
37 return descriptor.find();
38}
39
40vector<atom*> World::getAllAtoms(AtomDescriptor descriptor){
41 return descriptor.findAll();
42}
43
44vector<atom*> World::getAllAtoms(){
45 return getAllAtoms(AllAtoms());
46}
47
48int World::numAtoms(){
49 return atoms.size();
50}
51
52// Molecules
53
54molecule *World::getMolecule(MoleculeDescriptor descriptor){
55 return descriptor.find();
56}
57
58std::vector<molecule*> World::getAllMolecules(MoleculeDescriptor descriptor){
59 return descriptor.findAll();
60}
61
62std::vector<molecule*> World::getAllMolecules(){
63 return getAllMolecules(AllMolecules());
64}
65
66int World::numMolecules(){
67 return molecules_deprecated->ListOfMolecules.size();
68}
69
70// system
71
72double * World::getDomain() {
73 return cell_size;
74}
75
76void World::setDomain(double * matrix)
77{
78
79}
80
81char * World::getDefaultName() {
82 return defaultName;
83}
84
85void World::setDefaultName(char * name)
86{
87 delete[](defaultName);
88 const int length = strlen(name);
89 if (length < MAXSTRINGSIZE) {
90 defaultName = new char[length+2];
91 strncpy(defaultName, name, length);
92 } else {
93 defaultName = new char[MAXSTRINGSIZE];
94 strncpy(defaultName, "none", MAXSTRINGSIZE-1);
95 }
96};
97
98
99/******************** Methods to change World state *********************/
100
101molecule* World::createMolecule(){
102 OBSERVE;
103 molecule *mol = NULL;
104 mol = NewMolecule();
105 assert(!molecules.count(currMoleculeId));
106 mol->setId(currMoleculeId++);
107 // store the molecule by ID
108 molecules[mol->getId()] = mol;
109 mol->signOn(this);
110 return mol;
111}
112
113void World::destroyMolecule(molecule* mol){
114 OBSERVE;
115 destroyMolecule(mol->getId());
116}
117
118void World::destroyMolecule(moleculeId_t id){
119 OBSERVE;
120 molecule *mol = molecules[id];
121 assert(mol);
122 DeleteMolecule(mol);
123 molecules.erase(id);
124}
125
126double *World::cell_size = NULL;
127char *World::defaultName = NULL;
128
129atom *World::createAtom(){
130 OBSERVE;
131 atomId_t id = getNextAtomId();
132 atom *res = NewAtom(id);
133 res->setWorld(this);
134 // store the atom by ID
135 atoms[res->getId()] = res;
136 return res;
137}
138
139
140int World::registerAtom(atom *atom){
141 OBSERVE;
142 atomId_t id = getNextAtomId();
143 atom->setId(id);
144 atom->setWorld(this);
145 atoms[atom->getId()] = atom;
146 return atom->getId();
147}
148
149void World::destroyAtom(atom* atom){
150 OBSERVE;
151 int id = atom->getId();
152 destroyAtom(id);
153}
154
155void World::destroyAtom(atomId_t id) {
156 OBSERVE;
157 atom *atom = atoms[id];
158 assert(atom);
159 DeleteAtom(atom);
160 atoms.erase(id);
161 releaseAtomId(id);
162}
163
164bool World::changeAtomId(atomId_t oldId, atomId_t newId, atom* target){
165 OBSERVE;
166 // in case this call did not originate from inside the atom, we redirect it,
167 // to also let it know that it has changed
168 if(!target){
169 target = atoms[oldId];
170 assert(target && "Atom with that ID not found");
171 return target->changeId(newId);
172 }
173 else{
174 if(reserveAtomId(newId)){
175 atoms.erase(oldId);
176 atoms.insert(pair<atomId_t,atom*>(newId,target));
177 return true;
178 }
179 else{
180 return false;
181 }
182 }
183}
184
185ManipulateAtomsProcess* World::manipulateAtoms(boost::function<void(atom*)> op,std::string name,AtomDescriptor descr){
186 return new ManipulateAtomsProcess(op, descr,name,true);
187}
188
189ManipulateAtomsProcess* World::manipulateAtoms(boost::function<void(atom*)> op,std::string name){
190 return manipulateAtoms(op,name,AllAtoms());
191}
192
193/********************* Internal Change methods for double Callback and Observer mechanism ********/
194
195void World::doManipulate(ManipulateAtomsProcess *proc){
196 proc->signOn(this);
197 {
198 OBSERVE;
199 proc->doManipulate(this);
200 }
201 proc->signOff(this);
202}
203/******************************* IDManagement *****************************/
204
205// Atoms
206
207atomId_t World::getNextAtomId(){
208 // see if we can reuse some Id
209 if(atomIdPool.empty()){
210 return currAtomId++;
211 }
212 else{
213 // we give out the first ID from the pool
214 atomId_t id = *(atomIdPool.begin());
215 atomIdPool.erase(id);
216 return id;
217 }
218}
219
220void World::releaseAtomId(atomId_t id){
221 atomIdPool.insert(id);
222 // defragmentation of the pool
223 set<atomId_t>::reverse_iterator iter;
224 // go through all Ids in the pool that lie immediately below the border
225 while(!atomIdPool.empty() && *(atomIdPool.rbegin())==(currAtomId-1)){
226 atomIdPool.erase(--currAtomId);
227 }
228}
229
230bool World::reserveAtomId(atomId_t id){
231 if(id>=currAtomId ){
232 // add all ids between the new one and current border as available
233 for(atomId_t pos=currAtomId; pos<id; ++pos){
234 atomIdPool.insert(pos);
235 }
236 currAtomId=id+1;
237 return true;
238 }
239 else if(atomIdPool.count(id)){
240 atomIdPool.erase(id);
241 return true;
242 }
243 else{
244 // this ID could not be reserved
245 return false;
246 }
247}
248
249// Molecules
250
251/******************************* Iterators ********************************/
252
253// Build the AtomIterator from template
254CONSTRUCT_SELECTIVE_ITERATOR(atom*,World::AtomSet,AtomDescriptor);
255
256
257World::AtomIterator World::getAtomIter(AtomDescriptor descr){
258 return AtomIterator(descr,atoms);
259}
260
261World::AtomIterator World::atomEnd(){
262 return AtomIterator(AllAtoms(),atoms,atoms.end());
263}
264
265// build the MoleculeIterator from template
266CONSTRUCT_SELECTIVE_ITERATOR(molecule*,World::MoleculeSet,MoleculeDescriptor);
267
268World::MoleculeIterator World::getMoleculeIter(MoleculeDescriptor descr){
269 return MoleculeIterator(descr,molecules);
270}
271
272World::MoleculeIterator World::moleculeEnd(){
273 return MoleculeIterator(AllMolecules(),molecules,molecules.end());
274}
275
276/******************************* Singleton Stuff **************************/
277
278World::World() :
279 periode(new periodentafel),
280 configuration(new config),
281 atoms(),
282 currAtomId(0),
283 molecules(),
284 currMoleculeId(0),
285 molecules_deprecated(new MoleculeListClass(this))
286{
287 cell_size = new double[6];
288 cell_size[0] = 20.;
289 cell_size[1] = 0.;
290 cell_size[2] = 20.;
291 cell_size[3] = 0.;
292 cell_size[4] = 0.;
293 cell_size[5] = 20.;
294 defaultName = new char[MAXSTRINGSIZE];
295 strcpy(defaultName, "none");
296 molecules_deprecated->signOn(this);
297}
298
299World::~World()
300{
301 molecules_deprecated->signOff(this);
302 delete[] cell_size;
303 delete[] defaultName;
304 delete molecules_deprecated;
305 delete periode;
306 delete configuration;
307 MoleculeSet::iterator molIter;
308 for(molIter=molecules.begin();molIter!=molecules.end();++molIter){
309 DeleteMolecule((*molIter).second);
310 }
311 molecules.clear();
312 AtomSet::iterator atIter;
313 for(atIter=atoms.begin();atIter!=atoms.end();++atIter){
314 DeleteAtom((*atIter).second);
315 }
316 atoms.clear();
317}
318
319// Explicit instantiation of the singleton mechanism at this point
320
321CONSTRUCT_SINGLETON(World)
322
323/******************************* deprecated Legacy Stuff ***********************/
324
325MoleculeListClass *&World::getMolecules() {
326 return molecules_deprecated;
327}
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