--- trunk/src/utils/Utility.cpp 2004/09/24 16:27:58 3 +++ branches/development/src/utils/Utility.cpp 2013/02/20 15:39:39 1850 @@ -1,24 +1,68 @@ +/* + * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. + * + * The University of Notre Dame grants you ("Licensee") a + * non-exclusive, royalty free, license to use, modify and + * redistribute this software in source and binary code form, provided + * that the following conditions are met: + * + * 1. Redistributions of source code must retain the above copyright + * notice, this list of conditions and the following disclaimer. + * + * 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. + * + * This software is provided "AS IS," without a warranty of any + * kind. All express or implied conditions, representations and + * warranties, including any implied warranty of merchantability, + * fitness for a particular purpose or non-infringement, are hereby + * excluded. The University of Notre Dame and its licensors shall not + * be liable for any damages suffered by licensee as a result of + * using, modifying or distributing the software or its + * derivatives. In no event will the University of Notre Dame or its + * licensors be liable for any lost revenue, profit or data, or for + * direct, indirect, special, consequential, incidental or punitive + * damages, however caused and regardless of the theory of liability, + * 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). + */ + + #include "utils/Utility.hpp" -#include -#include -#include -using namespace std; -double dotProduct(vector& v1, vector& v2){ - double sum; +namespace OpenMD { - sum = 0; + bool replaceWithWildCard(std::vector::iterator>& cont, + std::vector& sequence, std::vector& result, const std::string& wildCard) { + if (cont.size() > sequence.size()) { + std::cerr << "the size of iterator container is greater than the size of sequence"; + } - if(v1.size() != v2.size()){ - cerr << "Utility Error: dimension of two vectors are not matched" << endl; - exit(-1); - } - - for(int i = 0; i < v1.size(); i++) - sum += v1[i]*v2[i]; - return sum; -} + bool hasMoreCombination = next_combination(cont, sequence.begin(), sequence.end()); + if (hasMoreCombination) { + result.clear(); + result.insert(result.begin(), sequence.size(), wildCard); + std::vector::iterator>::iterator i; + for ( i = cont.begin(); i != cont.end(); i++){ + result[*i - sequence.begin()] = **i; + } + } -double norm2(vector& x){ - return sqrt(dotProduct(x, x)); -} + return hasMoreCombination; + + }//end replaceWildCard + +}