source: src/World.hpp@ 387b36

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Last change on this file since 387b36 was 387b36, checked in by Frederik Heber <heber@…>, 15 years ago

Case 'X' is now handled by CommandLineUI, World::get/setDefaultName() operate on std:string not on char * anymore.

  • the char array is very fault-prone and is deprecated. Hence, replacement by std::string is good idea in any case.
  • Here, setDefaultName deleted and re-allocated the pointer with a certain length. Good for memory, bad for safety.
  • molecule::molecule() - changes due to the above.
  • Property mode set to 100644
File size: 8.3 KB
Line 
1/*
2 * World.hpp
3 *
4 * Created on: Feb 3, 2010
5 * Author: crueger
6 */
7
8#ifndef WORLD_HPP_
9#define WORLD_HPP_
10
11/*********************************************** includes ***********************************/
12
13#include <string>
14#include <map>
15#include <vector>
16#include <set>
17#include <boost/thread.hpp>
18#include <boost/shared_ptr.hpp>
19
20#include "types.hpp"
21#include "Descriptors/SelectiveIterator.hpp"
22#include "Patterns/Observer.hpp"
23#include "Patterns/Cacheable.hpp"
24#include "Patterns/Singleton.hpp"
25
26// include config.h
27#ifdef HAVE_CONFIG_H
28#include <config.h>
29#endif
30
31// forward declarations
32class config;
33class periodentafel;
34class MoleculeListClass;
35class atom;
36class molecule;
37class AtomDescriptor;
38class AtomDescriptor_impl;
39class MoleculeDescriptor;
40class MoleculeDescriptor_impl;
41class ManipulateAtomsProcess;
42template<typename T>
43class AtomsCalculation;
44
45/****************************************** forward declarations *****************************/
46
47/********************************************** Class World *******************************/
48
49class World : public Singleton<World>, public Observable
50{
51
52// Make access to constructor and destructor possible from inside the singleton
53friend class Singleton<World>;
54
55// necessary for coupling with descriptors
56friend class AtomDescriptor_impl;
57friend class AtomDescriptor;
58friend class MoleculeDescriptor_impl;
59friend class MoleculeDescriptor;
60
61// Actions, calculations etc associated with the World
62friend class ManipulateAtomsProcess;
63template<typename> friend class AtomsCalculation;
64public:
65
66 // Types for Atom and Molecule structures
67 typedef std::map<atomId_t,atom*> AtomSet;
68 typedef std::map<moleculeId_t,molecule*> MoleculeSet;
69
70 /***** getter and setter *****/
71 // reference to pointer is used for legacy reason... reference will be removed latter to keep encapsulation of World object
72 /**
73 * returns the periodentafel for the world.
74 */
75 periodentafel *&getPeriode();
76
77 /**
78 * returns the configuration for the world.
79 */
80 config *&getConfig();
81
82 /**
83 * returns the first atom that matches a given descriptor.
84 * Do not rely on ordering for descriptors that match more than one atom.
85 */
86 atom* getAtom(AtomDescriptor descriptor);
87
88 /**
89 * returns a vector containing all atoms that match a given descriptor
90 */
91 std::vector<atom*> getAllAtoms(AtomDescriptor descriptor);
92 std::vector<atom*> getAllAtoms();
93
94 /**
95 * returns a calculation that calls a given function on all atoms matching a descriptor.
96 * the calculation is not called at this point and can be used as an action, i.e. be stored in
97 * menus, be kept around for later use etc.
98 */
99 template<typename T> AtomsCalculation<T>* calcOnAtoms(boost::function<T(atom*)>,std::string,AtomDescriptor);
100 template<typename T> AtomsCalculation<T>* calcOnAtoms(boost::function<T(atom*)>,std::string);
101
102 /**
103 * get the number of atoms in the World
104 */
105 int numAtoms();
106
107 /**
108 * returns the first molecule that matches a given descriptor.
109 * Do not rely on ordering for descriptors that match more than one molecule.
110 */
111 molecule *getMolecule(MoleculeDescriptor descriptor);
112
113 /**
114 * returns a vector containing all molecules that match a given descriptor
115 */
116 std::vector<molecule*> getAllMolecules(MoleculeDescriptor descriptor);
117 std::vector<molecule*> getAllMolecules();
118
119 /**
120 * get the number of molecules in the World
121 */
122 int numMolecules();
123
124 /**
125 * get the domain size as a symmetric matrix (6 components)
126 */
127 double * getDomain();
128
129 /**
130 * set the domain size as a symmetric matrix (6 components)
131 */
132 void setDomain(double * matrix);
133
134 /**
135 * get the default name
136 */
137 std::string getDefaultName();
138
139 /**
140 * set the default name
141 */
142 void setDefaultName(std::string name);
143
144 /*
145 * get the ExitFlag
146 */
147 int getExitFlag();
148
149 /*
150 * set the ExitFlag
151 */
152 void setExitFlag(int flag);
153
154 /***** Methods to work with the World *****/
155
156 /**
157 * create a new molecule. This method should be used whenever any kind of molecule is needed. Assigns a unique
158 * ID to the molecule and stores it in the World for later retrieval. Do not create molecules directly.
159 */
160 molecule *createMolecule();
161
162 void destroyMolecule(molecule*);
163 void destroyMolecule(moleculeId_t);
164
165 /**
166 * Create a new atom. This method should be used whenever any atom is needed. Assigns a unique ID and stores
167 * the atom in the World. If the atom is not destroyed it will automatically be destroyed when the world ends.
168 */
169 atom *createAtom();
170
171 /**
172 * Registers a Atom unknown to world. Needed in some rare cases, e.g. when cloning atoms, or in some unittests.
173 * Do not re-register Atoms already known to the world since this will cause double-frees.
174 */
175 int registerAtom(atom*);
176
177 /**
178 * Delete some atom and erase it from the world. Use this whenever you need to destroy any atom. Do not call delete on
179 * atom directly since this will leave the pointer inside the world.
180 */
181 void destroyAtom(atom*);
182
183 /**
184 * Delete some atom and erase it from the world. Use this whenever you need to destroy any atom. Do not call delete on
185 * atom directly since this will leave the pointer inside the world.
186 */
187 void destroyAtom(atomId_t);
188
189 /**
190 * used when changing an atom Id.
191 * Unless you are calling this method from inside an atom don't fiddle with the third parameter.
192 *
193 * Return value indicates wether the change could be done or not.
194 */
195 bool changeAtomId(atomId_t oldId, atomId_t newId, atom* target=0);
196
197 /**
198 * Produces a process that calls a function on all Atoms matching a given descriptor. The process is not
199 * called at this time, so it can be passed around, stored inside menuItems etc.
200 */
201 ManipulateAtomsProcess* manipulateAtoms(boost::function<void(atom*)>,std::string,AtomDescriptor);
202 ManipulateAtomsProcess* manipulateAtoms(boost::function<void(atom*)>,std::string);
203
204protected:
205 /**** Iterators to use internal data structures */
206
207 // Atoms
208 typedef SelectiveIterator<atom*,AtomSet,AtomDescriptor> AtomIterator;
209
210 /**
211 * returns an iterator over all Atoms matching a given descriptor.
212 * used for internal purposes, like AtomProcesses and AtomCalculations.
213 */
214 AtomIterator getAtomIter(AtomDescriptor descr);
215
216 /**
217 * returns an iterator to the end of the AtomSet. Due to overloading this iterator
218 * can be compared to iterators produced by getAtomIter (see the mis-matching types).
219 * Thus it can be used to detect when such an iterator is at the end of the list.
220 * used for internal purposes, like AtomProcesses and AtomCalculations.
221 */
222 AtomIterator atomEnd();
223
224 // Molecules
225
226 typedef SelectiveIterator<molecule*,MoleculeSet,MoleculeDescriptor> MoleculeIterator;
227
228 /**
229 * returns an iterator over all Molecules matching a given descriptor.
230 * used for internal purposes, like MoleculeProcesses and MoleculeCalculations.
231 */
232 MoleculeIterator getMoleculeIter(MoleculeDescriptor descr);
233
234 /**
235 * returns an iterator to the end of the MoleculeSet. Due to overloading this iterator
236 * can be compared to iterators produced by getMoleculeIter (see the mis-matching types).
237 * Thus it can be used to detect when such an iterator is at the end of the list.
238 * used for internal purposes, like MoleculeProcesses and MoleculeCalculations.
239 */
240 MoleculeIterator moleculeEnd();
241
242
243 /******* Internal manipulation routines for double callback and Observer mechanism ******/
244 void doManipulate(ManipulateAtomsProcess *);
245
246private:
247
248 atomId_t getNextAtomId();
249 void releaseAtomId(atomId_t);
250 bool reserveAtomId(atomId_t);
251
252 periodentafel *periode;
253 config *configuration;
254 static double *cell_size;
255 std::string defaultName;
256 int ExitFlag;
257public:
258 AtomSet atoms;
259private:
260 std::set<atomId_t> atomIdPool; //<!stores the pool for all available AtomIds below currAtomId
261 atomId_t currAtomId; //!< stores the next available Id for atoms
262 MoleculeSet molecules;
263 moleculeId_t currMoleculeId;
264private:
265 /**
266 * private constructor to ensure creation of the world using
267 * the singleton pattern.
268 */
269 World();
270
271 /**
272 * private destructor to ensure destruction of the world using the
273 * singleton pattern.
274 */
275 virtual ~World();
276
277 /*****
278 * some legacy stuff that is include for now but will be removed later
279 *****/
280public:
281 MoleculeListClass *&getMolecules();
282
283private:
284 MoleculeListClass *molecules_deprecated;
285};
286
287#endif /* WORLD_HPP_ */
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