| 1 | < | /* | 
| 1 | > | /* | 
| 2 |  | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | 
| 3 |  | * | 
| 4 |  | * The University of Notre Dame grants you ("Licensee") a | 
| 6 |  | * redistribute this software in source and binary code form, provided | 
| 7 |  | * that the following conditions are met: | 
| 8 |  | * | 
| 9 | < | * 1. Acknowledgement of the program authors must be made in any | 
| 10 | < | *    publication of scientific results based in part on use of the | 
| 11 | < | *    program.  An acceptable form of acknowledgement is citation of | 
| 12 | < | *    the article in which the program was described (Matthew | 
| 13 | < | *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher | 
| 14 | < | *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented | 
| 15 | < | *    Parallel Simulation Engine for Molecular Dynamics," | 
| 16 | < | *    J. Comput. Chem. 26, pp. 252-271 (2005)) | 
| 17 | < | * | 
| 18 | < | * 2. Redistributions of source code must retain the above copyright | 
| 9 | > | * 1. Redistributions of source code must retain the above copyright | 
| 10 |  | *    notice, this list of conditions and the following disclaimer. | 
| 11 |  | * | 
| 12 | < | * 3. Redistributions in binary form must reproduce the above copyright | 
| 12 | > | * 2. Redistributions in binary form must reproduce the above copyright | 
| 13 |  | *    notice, this list of conditions and the following disclaimer in the | 
| 14 |  | *    documentation and/or other materials provided with the | 
| 15 |  | *    distribution. | 
| 28 |  | * arising out of the use of or inability to use software, even if the | 
| 29 |  | * University of Notre Dame has been advised of the possibility of | 
| 30 |  | * such damages. | 
| 31 | + | * | 
| 32 | + | * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your | 
| 33 | + | * research, please cite the appropriate papers when you publish your | 
| 34 | + | * work.  Good starting points are: | 
| 35 | + | * | 
| 36 | + | * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). | 
| 37 | + | * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). | 
| 38 | + | * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). | 
| 39 | + | * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
| 40 | + | * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
| 41 |  | */ | 
| 42 |  |  | 
| 43 |  | #include "utils/PropertyMap.hpp" | 
| 44 |  | #include <cassert> | 
| 45 |  | #include <utility> | 
| 46 |  |  | 
| 47 | < | namespace oopse { | 
| 47 | > | namespace OpenMD { | 
| 48 |  |  | 
| 49 | < | PropertyMap::~PropertyMap(){ | 
| 50 | < | clearProperties(); | 
| 51 | < | } | 
| 49 | > | PropertyMap::~PropertyMap(){ | 
| 50 | > | clearProperties(); | 
| 51 | > | } | 
| 52 |  |  | 
| 53 |  |  | 
| 54 | < | void PropertyMap::addProperty(GenericData* genData){ | 
| 54 | > | void PropertyMap::addProperty(GenericData* genData){ | 
| 55 |  | std::map<std::string, GenericData*>::iterator iter; | 
| 56 |  |  | 
| 57 |  | iter = propMap_.find(genData->getID()); | 
| 58 |  |  | 
| 59 |  | if (iter == propMap_.end()){ | 
| 60 | < | propMap_.insert(std::make_pair(genData->getID(), genData)); | 
| 60 | > | propMap_.insert(std::make_pair(genData->getID(), genData)); | 
| 61 |  | } else { | 
| 62 | < | delete iter->second; | 
| 63 | < | iter->second = genData; | 
| 62 | > | delete iter->second; | 
| 63 | > | iter->second = genData; | 
| 64 |  | } | 
| 65 | < | } | 
| 65 | > | } | 
| 66 |  |  | 
| 67 | < | bool PropertyMap::removeProperty(const std::string& propName){ | 
| 68 | < | std::map<std::string, GenericData*>::iterator iter; | 
| 67 | > | bool PropertyMap::removeProperty(const std::string& propName){ | 
| 68 | > | std::map<std::string, GenericData*>::iterator iter; | 
| 69 |  |  | 
| 70 |  | iter = propMap_.find(propName); | 
| 71 |  |  | 
| 72 |  | if (iter != propMap_.end()){ | 
| 73 | < | delete iter->second; | 
| 74 | < | propMap_.erase(iter); | 
| 75 | < | return true; | 
| 73 | > | delete iter->second; | 
| 74 | > | propMap_.erase(iter); | 
| 75 | > | return true; | 
| 76 |  | } else { | 
| 77 | < | //logger.warn("Can not find property with name: " + propName); | 
| 78 | < | return false; | 
| 77 | > | //logger.warn("Can not find property with name: " + propName); | 
| 78 | > | return false; | 
| 79 |  | } | 
| 80 | < | } | 
| 80 | > | } | 
| 81 |  |  | 
| 82 | < | void PropertyMap::clearProperties(){ | 
| 82 | > | void PropertyMap::clearProperties(){ | 
| 83 |  | std::map<std::string, GenericData*>::iterator iter; | 
| 84 |  |  | 
| 85 |  | for (iter = propMap_.begin(); iter != propMap_.end(); ++iter) | 
| 86 | < | delete iter->second; | 
| 86 | > | delete iter->second; | 
| 87 |  |  | 
| 88 |  | propMap_.clear(); | 
| 89 | < | } | 
| 89 | > | } | 
| 90 |  |  | 
| 91 | < | std::vector<std::string> PropertyMap::getPropertyNames(){ | 
| 91 | > | std::vector<std::string> PropertyMap::getPropertyNames(){ | 
| 92 |  | std::vector<std::string> propNames; | 
| 93 |  | std::map<std::string, GenericData*>::iterator iter; | 
| 94 |  |  | 
| 95 |  | for (iter = propMap_.begin(); iter != propMap_.end(); ++iter) | 
| 96 | < | propNames.push_back(iter->first); | 
| 96 | > | propNames.push_back(iter->first); | 
| 97 |  |  | 
| 98 |  | return propNames; | 
| 99 | < | } | 
| 99 | > | } | 
| 100 |  |  | 
| 101 | < | std::vector<GenericData*> PropertyMap::getProperties(){ | 
| 101 | > | std::vector<GenericData*> PropertyMap::getProperties(){ | 
| 102 |  | std::vector<GenericData*> properties; | 
| 103 |  | std::map<std::string, GenericData*>::iterator iter; | 
| 104 |  |  | 
| 105 |  | for (iter = propMap_.begin(); iter != propMap_.end(); ++iter) | 
| 106 | < | properties.push_back(iter->second); | 
| 106 | > | properties.push_back(iter->second); | 
| 107 |  |  | 
| 108 |  | return properties; | 
| 109 | < | } | 
| 109 | > | } | 
| 110 |  |  | 
| 111 | < | GenericData* PropertyMap::getPropertyByName(const std::string& propName){ | 
| 111 | > | bool PropertyMap::hasProperty(const std::string& propName){ | 
| 112 |  | std::map<std::string, GenericData*>::iterator iter; | 
| 113 |  |  | 
| 114 |  | iter = propMap_.find(propName); | 
| 115 |  |  | 
| 116 |  | if (iter != propMap_.end()) | 
| 117 | < | return iter->second; | 
| 117 | > | return true; | 
| 118 |  | else | 
| 119 | < | return NULL; | 
| 120 | < | } | 
| 119 | > | return false; | 
| 120 | > | } | 
| 121 |  |  | 
| 122 | < | }//end namepace oopse | 
| 122 | > | GenericData* PropertyMap::getPropertyByName(const std::string& propName){ | 
| 123 | > | std::map<std::string, GenericData*>::iterator iter; | 
| 124 | > |  | 
| 125 | > | iter = propMap_.find(propName); | 
| 126 | > |  | 
| 127 | > | if (iter != propMap_.end()) | 
| 128 | > | return iter->second; | 
| 129 | > | else | 
| 130 | > | return NULL; | 
| 131 | > | } | 
| 132 | > |  | 
| 133 | > | }//end namespace OpenMD |