--- trunk/src/selection/SelectionManager.hpp 2005/02/16 19:36:30 353 +++ trunk/src/selection/SelectionManager.hpp 2012/10/01 18:21:15 1801 @@ -6,19 +6,10 @@ * redistribute this software in source and binary code form, provided * that the following conditions are met: * - * 1. Acknowledgement of the program authors must be made in any - * publication of scientific results based in part on use of the - * program. An acceptable form of acknowledgement is citation of - * the article in which the program was described (Matthew - * A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher - * J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented - * Parallel Simulation Engine for Molecular Dynamics," - * J. Comput. Chem. 26, pp. 252-271 (2005)) - * - * 2. Redistributions of source code must retain the above copyright + * 1. Redistributions of source code must retain the above copyright * notice, this list of conditions and the following disclaimer. * - * 3. Redistributions in binary form must reproduce the above copyright + * 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. @@ -37,114 +28,120 @@ * 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, 24107 (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 "utils/BitSet.hpp" +#include "utils/OpenMDBitSet.hpp" #include "primitives/StuntDouble.hpp" -namespace oopse { +namespace OpenMD { -class SimInfo; -/** - * @class SelectionManager SelectionManager.hpp "selection/SelectionManager.hpp" - * @brief - */ -class SelectionManager { - public: - SelectionManager(SimInfo* info); + class SimInfo; + class SelectionManager { + public: + SelectionManager(SimInfo* info); - void addSelection(StuntDouble* sd) { - bsSelection_.setBitOn(sd->getGlobalIndex()); - } + void addSelection(StuntDouble* sd) { + bsSelection_.setBitOn(sd->getGlobalIndex()); + } - void addSelectionSet(const BitSet& bs) { - bsSelection_ |= bs; - } + void addSelectionSet(const OpenMDBitSet& bs) { + bsSelection_ |= bs; + } - void setSelection(StuntDouble* sd) { - bsSelection_.clearAll(); - bsSelection_.setBitOn(sd->getGlobalIndex()); - } + void setSelection(StuntDouble* sd) { + bsSelection_.clearAll(); + bsSelection_.setBitOn(sd->getGlobalIndex()); + } - void setSelectionSet(const BitSet& bs) { - bsSelection_ = bs; - } + void setSelectionSet(const OpenMDBitSet& bs) { + bsSelection_ = bs; + } - void toggleSelection(StuntDouble* sd) { - bsSelection_.flip(sd->getGlobalIndex()); - } + void toggleSelection(StuntDouble* sd) { + bsSelection_.flip(sd->getGlobalIndex()); + } - void toggleSelection() { - bsSelection_.flip(); - } + void toggleSelection() { + bsSelection_.flip(); + } - void selectAll() { - bsSelection_.setAll(); - } + void selectAll() { + bsSelection_.setAll(); + } - void clearSelection() { - bsSelection_.clearAll(); - } + void clearSelection() { + bsSelection_.clearAll(); + } - void clearSelection(StuntDouble* sd) { - bsSelection_.setBitOff(sd->getGlobalIndex()); - } + void clearSelection(StuntDouble* sd) { + bsSelection_.setBitOff(sd->getGlobalIndex()); + } - bool isSelected(StuntDouble* sd) { - return bsSelection_[sd->getGlobalIndex()]; - } + bool isSelected(StuntDouble* sd) { + return bsSelection_[sd->getGlobalIndex()]; + } - bool isEmpty() { - return bsSelection_.none(); - } + bool isEmpty() { + return bsSelection_.none(); + } - int getSelectionCount() { - return bsSelection_.countBits(); - } + int getSelectionCount() { + return bsSelection_.countBits(); + } - BitSet getSelectionSet() { - return bsSelection_; - } + OpenMDBitSet getSelectionSet() { + return bsSelection_; + } - StuntDouble* beginSelected(int& i); - StuntDouble* nextSelected(int& i); + StuntDouble* beginSelected(int& i); + StuntDouble* nextSelected(int& i); - StuntDouble* beginUnselected(int& i); - StuntDouble* nextUnSelected(int& i); + StuntDouble* beginUnselected(int& i); + StuntDouble* nextUnSelected(int& i); - SelectionManager& operator&= (const SelectionManager &sman) { - bsSelection_ &= sman.bsSelection_; - return *this; - } + SelectionManager& operator&= (const SelectionManager &sman) { + bsSelection_ &= sman.bsSelection_; + return *this; + } - SelectionManager& operator|= (const SelectionManager &sman) { - bsSelection_ |= sman.bsSelection_; - return *this; - } + SelectionManager& operator|= (const SelectionManager &sman) { + bsSelection_ |= sman.bsSelection_; + return *this; + } - SelectionManager& operator^= (const SelectionManager &sman) { - bsSelection_ ^= sman.bsSelection_; - return *this; - } + SelectionManager& operator^= (const SelectionManager &sman) { + bsSelection_ ^= sman.bsSelection_; + return *this; + } - SelectionManager& operator-= (const SelectionManager &sman) { - bsSelection_ -= sman.bsSelection_; - return *this; - } + SelectionManager& operator-= (const SelectionManager &sman) { + bsSelection_ -= sman.bsSelection_; + 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); + 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_; - BitSet bsSelection_; - std::vector stuntdoubles_; -}; + private: + SimInfo* info_; + OpenMDBitSet bsSelection_; + std::vector stuntdoubles_; + }; } #endif