| 1 |
tim |
2001 |
/* |
| 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. Acknowledgement of the program authors must be made in any |
| 10 |
|
|
* publication of scientific results based in part on use of the |
| 11 |
|
|
* program. An acceptable form of acknowledgement is citation of |
| 12 |
|
|
* the article in which the program was described (Matthew |
| 13 |
|
|
* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
| 14 |
|
|
* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
| 15 |
|
|
* Parallel Simulation Engine for Molecular Dynamics," |
| 16 |
|
|
* J. Comput. Chem. 26, pp. 252-271 (2005)) |
| 17 |
|
|
* |
| 18 |
|
|
* 2. Redistributions of source code must retain the above copyright |
| 19 |
|
|
* notice, this list of conditions and the following disclaimer. |
| 20 |
|
|
* |
| 21 |
|
|
* 3. Redistributions in binary form must reproduce the above copyright |
| 22 |
|
|
* notice, this list of conditions and the following disclaimer in the |
| 23 |
|
|
* documentation and/or other materials provided with the |
| 24 |
|
|
* distribution. |
| 25 |
|
|
* |
| 26 |
|
|
* This software is provided "AS IS," without a warranty of any |
| 27 |
|
|
* kind. All express or implied conditions, representations and |
| 28 |
|
|
* warranties, including any implied warranty of merchantability, |
| 29 |
|
|
* fitness for a particular purpose or non-infringement, are hereby |
| 30 |
|
|
* excluded. The University of Notre Dame and its licensors shall not |
| 31 |
|
|
* be liable for any damages suffered by licensee as a result of |
| 32 |
|
|
* using, modifying or distributing the software or its |
| 33 |
|
|
* derivatives. In no event will the University of Notre Dame or its |
| 34 |
|
|
* licensors be liable for any lost revenue, profit or data, or for |
| 35 |
|
|
* direct, indirect, special, consequential, incidental or punitive |
| 36 |
|
|
* damages, however caused and regardless of the theory of liability, |
| 37 |
|
|
* arising out of the use of or inability to use software, even if the |
| 38 |
|
|
* University of Notre Dame has been advised of the possibility of |
| 39 |
|
|
* such damages. |
| 40 |
|
|
*/ |
| 41 |
|
|
|
| 42 |
|
|
#include "selection/SelectionManager.hpp" |
| 43 |
|
|
#include "primitives/Molecule.hpp" |
| 44 |
|
|
#include "brains/SimInfo.hpp" |
| 45 |
|
|
namespace oopse { |
| 46 |
|
|
SelectionManager::SelectionManager(SimInfo* info) : info_(info){ |
| 47 |
|
|
|
| 48 |
|
|
int nStuntDoubles = info_->getNGlobalAtoms() + info_->getNGlobalRigidBodies(); |
| 49 |
|
|
|
| 50 |
|
|
bsSelection_.resize(nStuntDoubles); |
| 51 |
|
|
stuntdoubles_.resize(nStuntDoubles); |
| 52 |
|
|
|
| 53 |
|
|
SimInfo::MoleculeIterator mi; |
| 54 |
|
|
Molecule* mol; |
| 55 |
|
|
Molecule::AtomIterator ai; |
| 56 |
|
|
Atom* atom; |
| 57 |
|
|
Molecule::RigidBodyIterator rbIter; |
| 58 |
|
|
RigidBody* rb; |
| 59 |
|
|
|
| 60 |
|
|
|
| 61 |
|
|
for (mol = info_->beginMolecule(mi); mol != NULL; mol = info_->nextMolecule(mi)) { |
| 62 |
|
|
|
| 63 |
|
|
for(atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) { |
| 64 |
|
|
stuntdoubles_[atom->getGlobalIndex()] = atom; |
| 65 |
|
|
} |
| 66 |
|
|
|
| 67 |
|
|
for (rb = mol->beginRigidBody(rbIter); rb != NULL; rb = mol->nextRigidBody(rbIter)) { |
| 68 |
|
|
stuntdoubles_[rb->getGlobalIndex()] = rb; |
| 69 |
|
|
} |
| 70 |
|
|
|
| 71 |
|
|
} |
| 72 |
|
|
|
| 73 |
|
|
} |
| 74 |
|
|
|
| 75 |
|
|
|
| 76 |
|
|
StuntDouble* SelectionManager::beginSelected(int& i) { |
| 77 |
|
|
i = bsSelection_.firstOnBit(); |
| 78 |
|
|
return i == -1 ? NULL : stuntdoubles_[i]; |
| 79 |
|
|
} |
| 80 |
|
|
StuntDouble* SelectionManager::nextSelected(int& i) { |
| 81 |
|
|
i = bsSelection_.nextOnBit(i); |
| 82 |
|
|
return i == -1 ? NULL : stuntdoubles_[i]; |
| 83 |
|
|
} |
| 84 |
|
|
|
| 85 |
|
|
StuntDouble* SelectionManager::beginUnselected(int& i) { |
| 86 |
|
|
i = bsSelection_.firstOffBit(); |
| 87 |
|
|
return i == -1 ? NULL : stuntdoubles_[i]; |
| 88 |
|
|
} |
| 89 |
|
|
StuntDouble* SelectionManager::nextUnSelected(int& i) { |
| 90 |
|
|
i = bsSelection_.nextOffBit(i); |
| 91 |
|
|
return i == -1 ? NULL : stuntdoubles_[i]; |
| 92 |
|
|
} |
| 93 |
|
|
|
| 94 |
|
|
} |
