--- trunk/src/io/ParamConstraint.hpp 2009/05/08 19:47:05 1341 +++ branches/development/src/io/ParamConstraint.hpp 2013/05/15 15:09:35 1874 @@ -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. @@ -37,6 +28,16 @@ * 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 IO_PARAMCONSTRAINT_HPP @@ -44,7 +45,7 @@ #include #include "utils/CaseConversion.hpp" #include "utils/StringTokenizer.hpp" -namespace oopse { +namespace OpenMD { /** * This class allows to recognize constraint predicates, so that they can be combined using * composition operators. Every constraint predicate must be derived from this class @@ -59,7 +60,7 @@ namespace oopse { struct NotEmptyConstraint : public ParamConstraintFacade{ NotEmptyConstraint() { description_= "nonempty";} - bool operator()( const std::string data ) const { + bool operator()( const std::string &data ) const { return !data.empty(); } }; @@ -181,14 +182,14 @@ namespace oopse { struct EqualIgnoreCaseConstraint : public ParamConstraintFacade { - EqualIgnoreCaseConstraint(std::string rhs) : rhs_(oopse::toUpperCopy(rhs)){ + EqualIgnoreCaseConstraint(std::string rhs) : rhs_(OpenMD::toUpperCopy(rhs)){ std::stringstream iss; iss << "equal to (case insensitive) " << rhs; this->description_ = iss.str(); } bool operator()( std::string data ) const { - return oopse::toUpperCopy(data) == rhs_; + return OpenMD::toUpperCopy(data) == rhs_; } private: @@ -196,14 +197,14 @@ namespace oopse { }; struct ContainsConstraint : public ParamConstraintFacade { - ContainsConstraint(std::string rhs) : rhs_(oopse::toUpperCopy(rhs)){ + ContainsConstraint(std::string rhs) : rhs_(OpenMD::toUpperCopy(rhs)){ std::stringstream iss; iss << "contains " << rhs; this->description_ = iss.str(); } bool operator()( std::string data ) const { - oopse::StringTokenizer tokenizer(oopse::toUpperCopy(data), " ,;|\t\n\r"); + OpenMD::StringTokenizer tokenizer(OpenMD::toUpperCopy(data), " ,;|\t\n\r"); while (tokenizer.hasMoreTokens()) { if (tokenizer.nextToken() == rhs_) { return true; @@ -360,7 +361,7 @@ namespace oopse { template inline LessThanOrEqualToConstraint isLessThanOrEqualTo(T& v ) { - return ParamConstraintFacade >(v); + return LessThanOrEqualToConstraint(v); } template