--- trunk/src/selection/NameFinder.cpp 2005/12/02 15:38:03 770 +++ branches/development/src/selection/NameFinder.cpp 2010/07/09 23:08:25 1465 @@ -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. @@ -37,13 +28,22 @@ * 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] Vardeman & Gezelter, in progress (2009). */ #include "selection/NameFinder.hpp" #include "utils/wildcards.hpp" #include "utils/StringTokenizer.hpp" #include "primitives/Molecule.hpp" #include "utils/StringUtils.hpp" -namespace oopse { +namespace OpenMD { TreeNode::~TreeNode(){ std::map::iterator i; @@ -127,8 +127,8 @@ namespace oopse { return node; } - OOPSEBitSet NameFinder::match(const std::string& name){ - OOPSEBitSet bs(nStuntDouble_); + OpenMDBitSet NameFinder::match(const std::string& name){ + OpenMDBitSet bs(nStuntDouble_); StringTokenizer tokenizer(name, "."); @@ -173,7 +173,7 @@ namespace oopse { return bs; } - void NameFinder::matchMolecule(const std::string& molName, OOPSEBitSet& bs) { + void NameFinder::matchMolecule(const std::string& molName, OpenMDBitSet& bs) { std::vector molNodes = getMatchedChildren(root_, molName); std::vector::iterator i; for( i = molNodes.begin(); i != molNodes.end(); ++i ) { @@ -181,7 +181,7 @@ namespace oopse { } } - void NameFinder::matchStuntDouble(const std::string& molName, const std::string& sdName, OOPSEBitSet& bs){ + void NameFinder::matchStuntDouble(const std::string& molName, const std::string& sdName, OpenMDBitSet& bs){ std::vector molNodes = getMatchedChildren(root_, molName); std::vector::iterator i; for( i = molNodes.begin(); i != molNodes.end(); ++i ) { @@ -194,7 +194,7 @@ namespace oopse { } - void NameFinder::matchRigidAtoms(const std::string& molName, const std::string& rbName, const std::string& rbAtomName, OOPSEBitSet& bs){ + void NameFinder::matchRigidAtoms(const std::string& molName, const std::string& rbName, const std::string& rbAtomName, OpenMDBitSet& bs){ std::vector molNodes = getMatchedChildren(root_, molName); std::vector::iterator i; for( i = molNodes.begin(); i != molNodes.end(); ++i ) { @@ -229,7 +229,7 @@ namespace oopse { } - void NameFinder::matchInternalIndex(const std::string& name, int internalIndex, OOPSEBitSet& bs){ + void NameFinder::matchInternalIndex(const std::string& name, int internalIndex, OpenMDBitSet& bs){ std::map::iterator foundIter; SimInfo::MoleculeIterator mi;