src/selection/SelectionManager.hpp

/*
 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
 *
 * The University of Notre Dame grants you ("Licensee") a
 * non-exclusive, royalty free, license to use, modify and
 * redistribute this software in source and binary code form, provided
 * that the following conditions are met:
 *
 * 1. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 2. Redistributions in binary form must reproduce the above copyright
 *    notice, this list of conditions and the following disclaimer in the
 *    documentation and/or other materials provided with the
 *    distribution.
 *
 * This software is provided "AS IS," without a warranty of any
 * kind. All express or implied conditions, representations and
 * warranties, including any implied warranty of merchantability,
 * fitness for a particular purpose or non-infringement, are hereby
 * excluded.  The University of Notre Dame and its licensors shall not
 * be liable for any damages suffered by licensee as a result of
 * using, modifying or distributing the software or its
 * derivatives. In no event will the University of Notre Dame or its
 * licensors be liable for any lost revenue, profit or data, or for
 * direct, indirect, special, consequential, incidental or punitive
 * damages, however caused and regardless of the theory of liability,
 * arising out of the use of or inability to use software, even if the
 * University of Notre Dame has been advised of the possibility of
 * such damages.
 *
 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
 * research, please cite the appropriate papers when you publish your
 * work.  Good starting points are:
 *                                                                      
 * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
 * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
 * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 */

#ifndef SELECTION_SELECTIONMANAGER_HPP
#define SELECTION_SELECTIONMANAGER_HPP

#include "selection/SelectionSet.hpp"
#include "primitives/StuntDouble.hpp"
#include "primitives/Bond.hpp"
#include "primitives/Bend.hpp"
#include "primitives/Torsion.hpp"
#include "primitives/Inversion.hpp"
#include "primitives/Molecule.hpp"

namespace OpenMD {

  class SimInfo;
  class SelectionManager {
  public:
    SelectionManager(SimInfo* info);

    void addSelection(StuntDouble* sd) {      
      ss_.bitsets_[STUNTDOUBLE].setBitOn(sd->getGlobalIndex());
    }
    void addSelection(Bond* b) {
      ss_.bitsets_[BOND].setBitOn(b->getGlobalIndex());
    }
    void addSelection(Bend* b) {
      ss_.bitsets_[BEND].setBitOn(b->getGlobalIndex());
    }
    void addSelection(Torsion* t) {
      ss_.bitsets_[TORSION].setBitOn(t->getGlobalIndex());
    }
    void addSelection(Inversion* i) {
      ss_.bitsets_[INVERSION].setBitOn(i->getGlobalIndex());
    }
    void addSelection(Molecule* m) {
      ss_.bitsets_[MOLECULE].setBitOn(m->getGlobalIndex());
    }
        
    void addSelectionSet(const SelectionSet& bs) {
      ss_.bitsets_[STUNTDOUBLE] |= bs.bitsets_[STUNTDOUBLE];
    }
    void addBondSelectionSet(const SelectionSet& bs) {
      ss_.bitsets_[BOND] |= bs.bitsets_[BOND];
    }
    void addBendSelectionSet(const SelectionSet& bs) {
      ss_.bitsets_[BEND] |= bs.bitsets_[BEND];
    }
    void addTorsionSelectionSet(const SelectionSet& bs) {
      ss_.bitsets_[TORSION] |= bs.bitsets_[TORSION];
    }
    void addInversionSelectionSet(const SelectionSet& bs) {
      ss_.bitsets_[INVERSION] |= bs.bitsets_[INVERSION];
    }
    void addMoleculeSelectionSet(const SelectionSet& bs) {
      ss_.bitsets_[MOLECULE] |= bs.bitsets_[MOLECULE];
    }

    bool isEmpty() {
      return ss_.bitsets_[STUNTDOUBLE].none() && ss_.bitsets_[BOND].none() 
        && ss_.bitsets_[BEND].none()  && ss_.bitsets_[TORSION].none() 
        && ss_.bitsets_[INVERSION].none() && ss_.bitsets_[MOLECULE].none();
    }

    void setSelectionSet(const SelectionSet& bs) {
      for (int i = 0; i < N_SELECTIONTYPES; i++) 
        ss_.bitsets_[i] = bs.bitsets_[i];
    }

    //void setSelectionSet(const SelectionSet& bs) {
    //  ss_.bitsets_[STUNTDOUBLE] = bs.bitsets_[];           
    //}
    void setBondSelectionSet(const SelectionSet& bs) {
      ss_.bitsets_[BOND] = bs.bitsets_[BOND];           
    }
    void setBendSelectionSet(const SelectionSet& bs) {
      ss_.bitsets_[BEND] = bs.bitsets_[BEND];           
    }
    void setTorsionSelectionSet(const SelectionSet& bs) {
      ss_.bitsets_[TORSION] = bs.bitsets_[TORSION];           
    }
    void setInversionSelectionSet(const SelectionSet& bs) {
      ss_.bitsets_[INVERSION] = bs.bitsets_[INVERSION];           
    }
    void setMoleculeSelectionSet(const SelectionSet& bs) {
      ss_.bitsets_[MOLECULE] = bs.bitsets_[MOLECULE];           
    }

    std::vector<int> getSelectionCounts() {
      std::vector<int> counts(N_SELECTIONTYPES,0);
      for (int i = 0; i < N_SELECTIONTYPES; i++) {
        counts[i] = ss_.bitsets_[i].countBits();
      }
      return counts;
    }
     
    int getSelectionCount() {
      return ss_.bitsets_[STUNTDOUBLE].countBits();
    }
    int getBondSelectionCount() {
      return ss_.bitsets_[BOND].countBits();
    }
    int getBendSelectionCount() {
      return ss_.bitsets_[BEND].countBits();
    }
    int getTorsionSelectionCount() {
      return ss_.bitsets_[TORSION].countBits();
    }
    int getInversionSelectionCount() {
      return ss_.bitsets_[INVERSION].countBits();
    }
    int getMoleculeSelectionCount() {
      return ss_.bitsets_[MOLECULE].countBits();
    }
    
    SelectionSet getSelectionSet() {
      return ss_;
    }
    /*    SelectionSet getBondSelectionSet() {
      return ss_.bitsets_[BOND];
    }
    SelectionSet getBendSelectionSet() {
      return ss_.bitsets_[BEND];
    }
    SelectionSet getTorsionSelectionSet() {
      return ss_.bitsets_[TORSION];
    }
    SelectionSet getInversionSelectionSet() {
      return ss_.bitsets_[INVERSION];
    }
    */

    void setSelection(StuntDouble* sd) {
      ss_.bitsets_[STUNTDOUBLE].clearAll();
      ss_.bitsets_[STUNTDOUBLE].setBitOn(sd->getGlobalIndex());
    }
    void setSelection(Bond* b) {
      ss_.bitsets_[BOND].clearAll();
      ss_.bitsets_[BOND].setBitOn(b->getGlobalIndex());
    }
    void setSelection(Bend* b) {
      ss_.bitsets_[BEND].clearAll();
      ss_.bitsets_[BEND].setBitOn(b->getGlobalIndex());
    }
    void setSelection(Torsion* t) {
      ss_.bitsets_[TORSION].clearAll();
      ss_.bitsets_[TORSION].setBitOn(t->getGlobalIndex());
    }
    void setSelection(Inversion* i) {
      ss_.bitsets_[INVERSION].clearAll();
      ss_.bitsets_[INVERSION].setBitOn(i->getGlobalIndex());
    }
    void setSelection(Molecule* m) {
      ss_.bitsets_[MOLECULE].clearAll();
      ss_.bitsets_[MOLECULE].setBitOn(m->getGlobalIndex());
    }

    void toggleSelection(StuntDouble* sd) {
      ss_.bitsets_[STUNTDOUBLE].flip(sd->getGlobalIndex());
    }
    void toggleSelection(Bond* b) {
      ss_.bitsets_[BOND].flip(b->getGlobalIndex());
    }
    void toggleSelection(Bend* b) {
      ss_.bitsets_[BEND].flip(b->getGlobalIndex());
    }
    void toggleSelection(Torsion* t) {
      ss_.bitsets_[TORSION].flip(t->getGlobalIndex());
    }
    void toggleSelection(Inversion* i) {
      ss_.bitsets_[INVERSION].flip(i->getGlobalIndex());
    }
    void toggleSelection(Molecule* m) {
      ss_.bitsets_[MOLECULE].flip(m->getGlobalIndex());
    }

    void toggleSelection() {
      for (int i = 0; i < N_SELECTIONTYPES; i++) 
        ss_.bitsets_[i].flip();
    }
        
    void selectAll() {
      for (int i = 0; i < N_SELECTIONTYPES; i++) 
        ss_.bitsets_[i].setAll();
    }

    void clearSelection() {
      for (int i = 0; i < N_SELECTIONTYPES; i++) 
        ss_.bitsets_[i].clearAll();
    }

    void clearSelection(StuntDouble* sd) {
      ss_.bitsets_[STUNTDOUBLE].setBitOff(sd->getGlobalIndex());
    }
    void clearSelection(Bond* b) {
      ss_.bitsets_[BOND].setBitOff(b->getGlobalIndex());
    }
    void clearSelection(Bend* b) {
      ss_.bitsets_[BEND].setBitOff(b->getGlobalIndex());
    }
    void clearSelection(Torsion* t) {
      ss_.bitsets_[TORSION].setBitOff(t->getGlobalIndex());
    }
    void clearSelection(Inversion* i) {
      ss_.bitsets_[INVERSION].setBitOff(i->getGlobalIndex());
    }
    void clearSelection(Molecule* m) {
      ss_.bitsets_[MOLECULE].setBitOff(m->getGlobalIndex());
    }

    bool isSelected(StuntDouble* sd) {
      return ss_.bitsets_[STUNTDOUBLE][sd->getGlobalIndex()];
    }
    bool isSelected(Bond* b) {
      return ss_.bitsets_[BOND][b->getGlobalIndex()];
    }
    bool isSelected(Bend* b) {
      return ss_.bitsets_[BEND][b->getGlobalIndex()];
    }
    bool isSelected(Torsion* t) {
      return ss_.bitsets_[TORSION][t->getGlobalIndex()];
    }
    bool isSelected(Inversion* i) {
      return ss_.bitsets_[INVERSION][i->getGlobalIndex()];
    }
    bool isSelected(Molecule* m) {
      return ss_.bitsets_[MOLECULE][m->getGlobalIndex()];
    }

    StuntDouble* beginSelected(int& i);
    StuntDouble* nextSelected(int& i);
    StuntDouble* beginUnselected(int& i);
    StuntDouble* nextUnSelected(int& i);

    Bond* beginSelectedBond(int& i);
    Bond* nextSelectedBond(int& i);
    Bond* beginUnselectedBond(int& i);
    Bond* nextUnSelectedBond(int& i);

    Bend* beginSelectedBend(int& i);
    Bend* nextSelectedBend(int& i);
    Bend* beginUnselectedBend(int& i);
    Bend* nextUnSelectedBend(int& i);

    Torsion* beginSelectedTorsion(int& i);
    Torsion* nextSelectedTorsion(int& i);
    Torsion* beginUnselectedTorsion(int& i);
    Torsion* nextUnSelectedTorsion(int& i);

    Inversion* beginSelectedInversion(int& i);
    Inversion* nextSelectedInversion(int& i);
    Inversion* beginUnselectedInversion(int& i);
    Inversion* nextUnSelectedInversion(int& i);

    Molecule* beginSelectedMolecule(int& i);
    Molecule* nextSelectedMolecule(int& i);
    Molecule* beginUnselectedMolecule(int& i);
    Molecule* nextUnSelectedMolecule(int& i);

    SelectionManager& operator&= (const SelectionManager &sman) {
      for (int i = 0; i < N_SELECTIONTYPES; i++) 
        ss_.bitsets_[i] &= sman.ss_.bitsets_[i];
      return *this; 
    }
        
    SelectionManager& operator|= (const SelectionManager &sman) {
      for (int i = 0; i < N_SELECTIONTYPES; i++) 
        ss_.bitsets_[i] |= sman.ss_.bitsets_[i];
      return *this; 
    }
        
    SelectionManager& operator^= (const SelectionManager &sman) {
      for (int i = 0; i < N_SELECTIONTYPES; i++) 
        ss_.bitsets_[i] ^= sman.ss_.bitsets_[i];
      return *this; 
    }

    SelectionManager& operator-= (const SelectionManager &sman) {
      for (int i = 0; i < N_SELECTIONTYPES; i++) 
        ss_.bitsets_[i] -= sman.ss_.bitsets_[i];
      return *this; 
    }
        
    friend SelectionManager operator| (const SelectionManager& sman1, const SelectionManager& sman2);
    friend SelectionManager operator& (const SelectionManager& sman1, const SelectionManager& sman2);
    friend SelectionManager operator^ (const SelectionManager& sman1, const SelectionManager& sman2);
    friend SelectionManager operator-(const SelectionManager& sman1, const SelectionManager& sman2);
        
  private:
    SimInfo* info_;
    SelectionSet ss_;
    std::vector<int> nObjects_;
    std::vector<StuntDouble*> stuntdoubles_;
    std::vector<Bond*> bonds_;
    std::vector<Bend*> bends_;
    std::vector<Torsion*> torsions_;
    std::vector<Inversion*> inversions_;
    std::vector<Molecule*> molecules_;
  };

}
#endif
Revision:	2052
Committed:	Fri Jan 9 19:06:35 2015 UTC (10 years, 9 months ago) by gezelter
File size:	11862 byte(s)
Log Message:	Updating Hydrogen Bonding structures, and selection syntax to include molecule selections:
#	Content
1	/*
2	* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3	*
4	* The University of Notre Dame grants you ("Licensee") a
5	* non-exclusive, royalty free, license to use, modify and
6	* redistribute this software in source and binary code form, provided
7	* that the following conditions are met:
8	*
9	* 1. Redistributions of source code must retain the above copyright
10	* notice, this list of conditions and the following disclaimer.
11	*
12	* 2. Redistributions in binary form must reproduce the above copyright
13	* notice, this list of conditions and the following disclaimer in the
14	* documentation and/or other materials provided with the
15	* distribution.
16	*
17	* This software is provided "AS IS," without a warranty of any
18	* kind. All express or implied conditions, representations and
19	* warranties, including any implied warranty of merchantability,
20	* fitness for a particular purpose or non-infringement, are hereby
21	* excluded. The University of Notre Dame and its licensors shall not
22	* be liable for any damages suffered by licensee as a result of
23	* using, modifying or distributing the software or its
24	* derivatives. In no event will the University of Notre Dame or its
25	* licensors be liable for any lost revenue, profit or data, or for
26	* direct, indirect, special, consequential, incidental or punitive
27	* damages, however caused and regardless of the theory of liability,
28	* arising out of the use of or inability to use software, even if the
29	* University of Notre Dame has been advised of the possibility of
30	* such damages.
31	*
32	* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
33	* research, please cite the appropriate papers when you publish your
34	* work. Good starting points are:
35	*
36	* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37	* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38	* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
39	* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40	* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41	*/
42
43	#ifndef SELECTION_SELECTIONMANAGER_HPP
44	#define SELECTION_SELECTIONMANAGER_HPP
45
46	#include "selection/SelectionSet.hpp"
47	#include "primitives/StuntDouble.hpp"
48	#include "primitives/Bond.hpp"
49	#include "primitives/Bend.hpp"
50	#include "primitives/Torsion.hpp"
51	#include "primitives/Inversion.hpp"
52	#include "primitives/Molecule.hpp"
53
54	namespace OpenMD {
55
56	class SimInfo;
57	class SelectionManager {
58	public:
59	SelectionManager(SimInfo* info);
60
61	void addSelection(StuntDouble* sd) {
62	ss_.bitsets_[STUNTDOUBLE].setBitOn(sd->getGlobalIndex());
63	}
64	void addSelection(Bond* b) {
65	ss_.bitsets_[BOND].setBitOn(b->getGlobalIndex());
66	}
67	void addSelection(Bend* b) {
68	ss_.bitsets_[BEND].setBitOn(b->getGlobalIndex());
69	}
70	void addSelection(Torsion* t) {
71	ss_.bitsets_[TORSION].setBitOn(t->getGlobalIndex());
72	}
73	void addSelection(Inversion* i) {
74	ss_.bitsets_[INVERSION].setBitOn(i->getGlobalIndex());
75	}
76	void addSelection(Molecule* m) {
77	ss_.bitsets_[MOLECULE].setBitOn(m->getGlobalIndex());
78	}
79
80	void addSelectionSet(const SelectionSet& bs) {
81	ss_.bitsets_[STUNTDOUBLE] \|= bs.bitsets_[STUNTDOUBLE];
82	}
83	void addBondSelectionSet(const SelectionSet& bs) {
84	ss_.bitsets_[BOND] \|= bs.bitsets_[BOND];
85	}
86	void addBendSelectionSet(const SelectionSet& bs) {
87	ss_.bitsets_[BEND] \|= bs.bitsets_[BEND];
88	}
89	void addTorsionSelectionSet(const SelectionSet& bs) {
90	ss_.bitsets_[TORSION] \|= bs.bitsets_[TORSION];
91	}
92	void addInversionSelectionSet(const SelectionSet& bs) {
93	ss_.bitsets_[INVERSION] \|= bs.bitsets_[INVERSION];
94	}
95	void addMoleculeSelectionSet(const SelectionSet& bs) {
96	ss_.bitsets_[MOLECULE] \|= bs.bitsets_[MOLECULE];
97	}
98
99	bool isEmpty() {
100	return ss_.bitsets_[STUNTDOUBLE].none() && ss_.bitsets_[BOND].none()
101	&& ss_.bitsets_[BEND].none() && ss_.bitsets_[TORSION].none()
102	&& ss_.bitsets_[INVERSION].none() && ss_.bitsets_[MOLECULE].none();
103	}
104
105	void setSelectionSet(const SelectionSet& bs) {
106	for (int i = 0; i < N_SELECTIONTYPES; i++)
107	ss_.bitsets_[i] = bs.bitsets_[i];
108	}
109
110	//void setSelectionSet(const SelectionSet& bs) {
111	// ss_.bitsets_[STUNTDOUBLE] = bs.bitsets_[];
112	//}
113	void setBondSelectionSet(const SelectionSet& bs) {
114	ss_.bitsets_[BOND] = bs.bitsets_[BOND];
115	}
116	void setBendSelectionSet(const SelectionSet& bs) {
117	ss_.bitsets_[BEND] = bs.bitsets_[BEND];
118	}
119	void setTorsionSelectionSet(const SelectionSet& bs) {
120	ss_.bitsets_[TORSION] = bs.bitsets_[TORSION];
121	}
122	void setInversionSelectionSet(const SelectionSet& bs) {
123	ss_.bitsets_[INVERSION] = bs.bitsets_[INVERSION];
124	}
125	void setMoleculeSelectionSet(const SelectionSet& bs) {
126	ss_.bitsets_[MOLECULE] = bs.bitsets_[MOLECULE];
127	}
128
129	std::vector<int> getSelectionCounts() {
130	std::vector<int> counts(N_SELECTIONTYPES,0);
131	for (int i = 0; i < N_SELECTIONTYPES; i++) {
132	counts[i] = ss_.bitsets_[i].countBits();
133	}
134	return counts;
135	}
136
137	int getSelectionCount() {
138	return ss_.bitsets_[STUNTDOUBLE].countBits();
139	}
140	int getBondSelectionCount() {
141	return ss_.bitsets_[BOND].countBits();
142	}
143	int getBendSelectionCount() {
144	return ss_.bitsets_[BEND].countBits();
145	}
146	int getTorsionSelectionCount() {
147	return ss_.bitsets_[TORSION].countBits();
148	}
149	int getInversionSelectionCount() {
150	return ss_.bitsets_[INVERSION].countBits();
151	}
152	int getMoleculeSelectionCount() {
153	return ss_.bitsets_[MOLECULE].countBits();
154	}
155
156	SelectionSet getSelectionSet() {
157	return ss_;
158	}
159	/* SelectionSet getBondSelectionSet() {
160	return ss_.bitsets_[BOND];
161	}
162	SelectionSet getBendSelectionSet() {
163	return ss_.bitsets_[BEND];
164	}
165	SelectionSet getTorsionSelectionSet() {
166	return ss_.bitsets_[TORSION];
167	}
168	SelectionSet getInversionSelectionSet() {
169	return ss_.bitsets_[INVERSION];
170	}
171	*/
172
173	void setSelection(StuntDouble* sd) {
174	ss_.bitsets_[STUNTDOUBLE].clearAll();
175	ss_.bitsets_[STUNTDOUBLE].setBitOn(sd->getGlobalIndex());
176	}
177	void setSelection(Bond* b) {
178	ss_.bitsets_[BOND].clearAll();
179	ss_.bitsets_[BOND].setBitOn(b->getGlobalIndex());
180	}
181	void setSelection(Bend* b) {
182	ss_.bitsets_[BEND].clearAll();
183	ss_.bitsets_[BEND].setBitOn(b->getGlobalIndex());
184	}
185	void setSelection(Torsion* t) {
186	ss_.bitsets_[TORSION].clearAll();
187	ss_.bitsets_[TORSION].setBitOn(t->getGlobalIndex());
188	}
189	void setSelection(Inversion* i) {
190	ss_.bitsets_[INVERSION].clearAll();
191	ss_.bitsets_[INVERSION].setBitOn(i->getGlobalIndex());
192	}
193	void setSelection(Molecule* m) {
194	ss_.bitsets_[MOLECULE].clearAll();
195	ss_.bitsets_[MOLECULE].setBitOn(m->getGlobalIndex());
196	}
197
198	void toggleSelection(StuntDouble* sd) {
199	ss_.bitsets_[STUNTDOUBLE].flip(sd->getGlobalIndex());
200	}
201	void toggleSelection(Bond* b) {
202	ss_.bitsets_[BOND].flip(b->getGlobalIndex());
203	}
204	void toggleSelection(Bend* b) {
205	ss_.bitsets_[BEND].flip(b->getGlobalIndex());
206	}
207	void toggleSelection(Torsion* t) {
208	ss_.bitsets_[TORSION].flip(t->getGlobalIndex());
209	}
210	void toggleSelection(Inversion* i) {
211	ss_.bitsets_[INVERSION].flip(i->getGlobalIndex());
212	}
213	void toggleSelection(Molecule* m) {
214	ss_.bitsets_[MOLECULE].flip(m->getGlobalIndex());
215	}
216
217	void toggleSelection() {
218	for (int i = 0; i < N_SELECTIONTYPES; i++)
219	ss_.bitsets_[i].flip();
220	}
221
222	void selectAll() {
223	for (int i = 0; i < N_SELECTIONTYPES; i++)
224	ss_.bitsets_[i].setAll();
225	}
226
227	void clearSelection() {
228	for (int i = 0; i < N_SELECTIONTYPES; i++)
229	ss_.bitsets_[i].clearAll();
230	}
231
232	void clearSelection(StuntDouble* sd) {
233	ss_.bitsets_[STUNTDOUBLE].setBitOff(sd->getGlobalIndex());
234	}
235	void clearSelection(Bond* b) {
236	ss_.bitsets_[BOND].setBitOff(b->getGlobalIndex());
237	}
238	void clearSelection(Bend* b) {
239	ss_.bitsets_[BEND].setBitOff(b->getGlobalIndex());
240	}
241	void clearSelection(Torsion* t) {
242	ss_.bitsets_[TORSION].setBitOff(t->getGlobalIndex());
243	}
244	void clearSelection(Inversion* i) {
245	ss_.bitsets_[INVERSION].setBitOff(i->getGlobalIndex());
246	}
247	void clearSelection(Molecule* m) {
248	ss_.bitsets_[MOLECULE].setBitOff(m->getGlobalIndex());
249	}
250
251	bool isSelected(StuntDouble* sd) {
252	return ss_.bitsets_[STUNTDOUBLE][sd->getGlobalIndex()];
253	}
254	bool isSelected(Bond* b) {
255	return ss_.bitsets_[BOND][b->getGlobalIndex()];
256	}
257	bool isSelected(Bend* b) {
258	return ss_.bitsets_[BEND][b->getGlobalIndex()];
259	}
260	bool isSelected(Torsion* t) {
261	return ss_.bitsets_[TORSION][t->getGlobalIndex()];
262	}
263	bool isSelected(Inversion* i) {
264	return ss_.bitsets_[INVERSION][i->getGlobalIndex()];
265	}
266	bool isSelected(Molecule* m) {
267	return ss_.bitsets_[MOLECULE][m->getGlobalIndex()];
268	}
269
270	StuntDouble* beginSelected(int& i);
271	StuntDouble* nextSelected(int& i);
272	StuntDouble* beginUnselected(int& i);
273	StuntDouble* nextUnSelected(int& i);
274
275	Bond* beginSelectedBond(int& i);
276	Bond* nextSelectedBond(int& i);
277	Bond* beginUnselectedBond(int& i);
278	Bond* nextUnSelectedBond(int& i);
279
280	Bend* beginSelectedBend(int& i);
281	Bend* nextSelectedBend(int& i);
282	Bend* beginUnselectedBend(int& i);
283	Bend* nextUnSelectedBend(int& i);
284
285	Torsion* beginSelectedTorsion(int& i);
286	Torsion* nextSelectedTorsion(int& i);
287	Torsion* beginUnselectedTorsion(int& i);
288	Torsion* nextUnSelectedTorsion(int& i);
289
290	Inversion* beginSelectedInversion(int& i);
291	Inversion* nextSelectedInversion(int& i);
292	Inversion* beginUnselectedInversion(int& i);
293	Inversion* nextUnSelectedInversion(int& i);
294
295	Molecule* beginSelectedMolecule(int& i);
296	Molecule* nextSelectedMolecule(int& i);
297	Molecule* beginUnselectedMolecule(int& i);
298	Molecule* nextUnSelectedMolecule(int& i);
299
300	SelectionManager& operator&= (const SelectionManager &sman) {
301	for (int i = 0; i < N_SELECTIONTYPES; i++)
302	ss_.bitsets_[i] &= sman.ss_.bitsets_[i];
303	return *this;
304	}
305
306	SelectionManager& operator\|= (const SelectionManager &sman) {
307	for (int i = 0; i < N_SELECTIONTYPES; i++)
308	ss_.bitsets_[i] \|= sman.ss_.bitsets_[i];
309	return *this;
310	}
311
312	SelectionManager& operator^= (const SelectionManager &sman) {
313	for (int i = 0; i < N_SELECTIONTYPES; i++)
314	ss_.bitsets_[i] ^= sman.ss_.bitsets_[i];
315	return *this;
316	}
317
318	SelectionManager& operator-= (const SelectionManager &sman) {
319	for (int i = 0; i < N_SELECTIONTYPES; i++)
320	ss_.bitsets_[i] -= sman.ss_.bitsets_[i];
321	return *this;
322	}
323
324	friend SelectionManager operator\| (const SelectionManager& sman1, const SelectionManager& sman2);
325	friend SelectionManager operator& (const SelectionManager& sman1, const SelectionManager& sman2);
326	friend SelectionManager operator^ (const SelectionManager& sman1, const SelectionManager& sman2);
327	friend SelectionManager operator-(const SelectionManager& sman1, const SelectionManager& sman2);
328
329	private:
330	SimInfo* info_;
331	SelectionSet ss_;
332	std::vector<int> nObjects_;
333	std::vector<StuntDouble*> stuntdoubles_;
334	std::vector<Bond*> bonds_;
335	std::vector<Bend*> bends_;
336	std::vector<Torsion*> torsions_;
337	std::vector<Inversion*> inversions_;
338	std::vector<Molecule*> molecules_;
339	};
340
341	}
342	#endif