--- trunk/src/selection/SelectionManager.hpp 2005/02/01 06:55:00 277 +++ trunk/src/selection/SelectionManager.hpp 2012/08/22 02:28:28 1782 @@ -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. @@ -37,20 +28,124 @@ * 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 -namespace oopse { +#include "utils/OpenMDBitSet.hpp" +#include "primitives/StuntDouble.hpp" +namespace OpenMD { -/** - * @class SelectionManager SelectionManager.hpp "selection/SelectionManager.hpp" - * @brief - */ -class SelectionManager { + class SimInfo; + /** + * @class SelectionManager SelectionManager.hpp "selection/SelectionManager.hpp" + * @brief + */ + class SelectionManager { + public: + SelectionManager(SimInfo* info); -}; + void addSelection(StuntDouble* sd) { + bsSelection_.setBitOn(sd->getGlobalIndex()); + } + + void addSelectionSet(const OpenMDBitSet& bs) { + bsSelection_ |= bs; + } + void setSelection(StuntDouble* sd) { + bsSelection_.clearAll(); + bsSelection_.setBitOn(sd->getGlobalIndex()); + } + + void setSelectionSet(const OpenMDBitSet& bs) { + bsSelection_ = bs; + } + + void toggleSelection(StuntDouble* sd) { + bsSelection_.flip(sd->getGlobalIndex()); + } + + void toggleSelection() { + bsSelection_.flip(); + } + + void selectAll() { + bsSelection_.setAll(); + } + + void clearSelection() { + bsSelection_.clearAll(); + } + + void clearSelection(StuntDouble* sd) { + bsSelection_.setBitOff(sd->getGlobalIndex()); + } + + bool isSelected(StuntDouble* sd) { + return bsSelection_[sd->getGlobalIndex()]; + } + + bool isEmpty() { + return bsSelection_.none(); + } + + int getSelectionCount() { + return bsSelection_.countBits(); + } + + OpenMDBitSet getSelectionSet() { + return bsSelection_; + } + + + StuntDouble* beginSelected(int& i); + StuntDouble* nextSelected(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; + } + + 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_; + OpenMDBitSet bsSelection_; + std::vector stuntdoubles_; + }; + } #endif