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/* |
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* Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project |
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* |
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* Contact: oopse@oopse.org |
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* |
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* This program is free software; you can redistribute it and/or |
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* modify it under the terms of the GNU Lesser General Public License |
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* as published by the Free Software Foundation; either version 2.1 |
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* of the License, or (at your option) any later version. |
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* All we ask is that proper credit is given for our work, which includes |
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* - but is not limited to - adding the above copyright notice to the beginning |
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* of your source code files, and to any copyright notice that you may distribute |
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* with programs based on this work. |
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* |
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* This program is distributed in the hope that it will be useful, |
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* but WITHOUT ANY WARRANTY; without even the implied warranty of |
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the |
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* GNU Lesser General Public License for more details. |
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* |
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* You should have received a copy of the GNU Lesser General Public License |
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* along with this program; if not, write to the Free Software |
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* Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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* non-exclusive, royalty free, license to use, modify and |
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* redistribute this software in source and binary code form, provided |
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* that the following conditions are met: |
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* |
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* 1. Redistributions of source code must retain the above copyright |
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* notice, this list of conditions and the following disclaimer. |
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* |
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* 2. Redistributions in binary form must reproduce the above copyright |
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* notice, this list of conditions and the following disclaimer in the |
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* documentation and/or other materials provided with the |
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* distribution. |
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* |
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* This software is provided "AS IS," without a warranty of any |
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* kind. All express or implied conditions, representations and |
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* warranties, including any implied warranty of merchantability, |
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* fitness for a particular purpose or non-infringement, are hereby |
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* excluded. The University of Notre Dame and its licensors shall not |
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* be liable for any damages suffered by licensee as a result of |
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* using, modifying or distributing the software or its |
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* derivatives. In no event will the University of Notre Dame or its |
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* licensors be liable for any lost revenue, profit or data, or for |
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* direct, indirect, special, consequential, incidental or punitive |
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* damages, however caused and regardless of the theory of liability, |
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* arising out of the use of or inability to use software, even if the |
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* University of Notre Dame has been advised of the possibility of |
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* such damages. |
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* |
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* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your |
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* research, please cite the appropriate papers when you publish your |
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* work. Good starting points are: |
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* |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
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*/ |
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|
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/** |
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* @file GenericData.hpp |
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* @brief |
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* @author tlin |
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* @date 09/20/2004 |
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* @time 9:30am |
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* @version 1.0 |
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*/ |
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|
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#include <list> |
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#include <string> |
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#include <vector> |
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namespace oopse{ |
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#include "config.h" |
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namespace OpenMD{ |
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|
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/** |
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* @ class GenericData GenericData.hpp "utils/GenericData.hpp" |
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* @brief Base class for generic data which is associated with an id |
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*/ |
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class GenericData{ |
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public: |
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GenericData() : id_("UndefinedGenericData"){} |
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/** |
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* @ class GenericData GenericData.hpp "utils/GenericData.hpp" |
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* @brief Base class for generic data which is associated with an id |
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*/ |
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class GenericData{ |
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public: |
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GenericData() : id_("UndefinedGenericData"){} |
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|
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GenericData(const std::string& id) { setID(id); } |
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GenericData(const std::string& id) { setID(id); } |
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|
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/** virtual destructor */ |
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virtual ~GenericData() {} |
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/** virtual destructor */ |
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virtual ~GenericData() {} |
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|
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|
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/** |
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* Returns the id of this generic data |
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* |
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* @return the id of this generic data |
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* |
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* @see #setID |
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*/ |
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const std::string getID() const { return id_; } |
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/** |
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* Returns the id of this generic data |
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* |
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* @return the id of this generic data |
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* |
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* @see #setID |
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*/ |
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const std::string getID() const { return id_; } |
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|
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/** |
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* Sets the id of this generic data |
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* |
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* @param id the id to be set |
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* |
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* @see #getID |
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*/ |
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void setID(const std::string& id) { id_ = id; } |
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/** |
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* Sets the id of this generic data |
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* |
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* @param id the id to be set |
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* |
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* @see #getID |
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*/ |
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void setID(const std::string& id) { id_ = id; } |
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private: |
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GenericData(const GenericData&); |
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GenericData& operator=(GenericData&); |
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std::string id_; |
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private: |
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GenericData(const GenericData&); |
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GenericData& operator=(GenericData&); |
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std::string id_; |
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|
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}; |
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}; |
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|
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/** |
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* @class SimpleTypeData |
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* @brief SimpleTypeData class is a POD repository class |
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* @warning ElemDataType must be copy constructible, and copy assignable |
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*/ |
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template<typename ElemDataType> class SimpleTypeData : public GenericData{ |
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/** |
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* @class SimpleTypeData |
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* @brief SimpleTypeData class is a POD repository class |
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* @warning ElemDataType must be copy constructible, and copy assignable |
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*/ |
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template<typename ElemDataType> class SimpleTypeData : public GenericData{ |
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|
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public: |
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SimpleTypeData() : GenericData(), data_(ElemDataType()) {} |
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SimpleTypeData(const std::string& id) : GenericData(id), data_(ElemDataType()) {} |
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public: |
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SimpleTypeData() : GenericData(), data_(ElemDataType()) {} |
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SimpleTypeData(const std::string& id) : GenericData(id), data_(ElemDataType()) {} |
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SimpleTypeData(const std::string&id , const ElemDataType& data) : GenericData(id), data_(data) {} |
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template<typename T> |
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SimpleTypeData(const SimpleTypeData<T>& s) { |
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data_ = s.getData(); |
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} |
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|
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template<typename T> |
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SimpleTypeData(const SimpleTypeData<T>& s) { |
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data_ = s.getData(); |
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} |
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|
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SimpleTypeData<ElemDataType>& operator =(const SimpleTypeData<ElemDataType>& s) { |
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if (this == &s) |
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return *this; |
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SimpleTypeData<ElemDataType>& operator =(const SimpleTypeData<ElemDataType>& s) { |
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if (this == &s) |
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return *this; |
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|
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data_ = s.getData(); |
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return *this; |
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} |
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data_ = s.getData(); |
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return *this; |
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} |
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|
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template<typename T> |
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SimpleTypeData<ElemDataType>& operator =(const SimpleTypeData<T>& s) { |
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data_ = s.getData(); |
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return *this; |
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} |
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template<typename T> |
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SimpleTypeData<ElemDataType>& operator =(const SimpleTypeData<T>& s) { |
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data_ = s.getData(); |
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return *this; |
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} |
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|
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/** Returns POD data */ |
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const ElemDataType& getData() const {return data_;} |
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ElemDataType& getData() {return data_;} |
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/** |
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* Sets POD data |
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* @data POD data to be set |
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*/ |
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void setData(const ElemDataType& data) { data_ = data; } |
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/** Returns POD data */ |
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const ElemDataType& getData() const {return data_;} |
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ElemDataType& getData() {return data_;} |
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/** |
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* Sets POD data |
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* @param data POD data to be set |
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*/ |
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void setData(const ElemDataType& data) { data_ = data; } |
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|
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private: |
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ElemDataType data_; |
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}; |
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private: |
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ElemDataType data_; |
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}; |
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|
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/** BoolGenericData is a generic data type contains a bool variable */ |
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typedef SimpleTypeData<bool> BoolGenericData; |
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/** BoolGenericData is a generic data type contains a bool variable */ |
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typedef SimpleTypeData<bool> BoolGenericData; |
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|
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/** IntGenericData is a generic data type contains an integer variable */ |
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typedef SimpleTypeData<int> IntGenericData; |
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/** IntGenericData is a generic data type contains an integer variable */ |
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typedef SimpleTypeData<int> IntGenericData; |
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|
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/** FloatGenericData is a generic data type contains a float variable */ |
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typedef SimpleTypeData<float> FloatGenericData; |
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/** FloatGenericData is a generic data type contains a float variable */ |
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typedef SimpleTypeData<float> FloatGenericData; |
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|
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/** DoubleGenericData is a generic data type contains a double variable */ |
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typedef SimpleTypeData<double> DoubleGenericData; |
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/** DoubleGenericData is a generic data type contains a RealType variable */ |
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typedef SimpleTypeData<RealType> DoubleGenericData; |
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|
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/** |
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* @typedef StringGenericData |
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* A generic data type contains a string variable |
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* |
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* @code |
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* StringGenericData* s = new StringGenericData("MyStringGenericData"); |
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* PropertyMap propMap; |
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* GenericData* gdata; |
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* |
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* s->setData("OOPSE"); |
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* propMap->addProperty(s); |
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* |
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* gdata = propMap->getProperty("MyStringGenericData"); |
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* if (gdata != NULL){ |
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* s = dynamic_cast<StringGenericData*>(gdata); |
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* if (s != NULL) |
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* std::cout << s->getData() << std::endl; |
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* } |
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* |
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* @endcode |
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*/ |
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typedef SimpleTypeData<std::string> StringGenericData; |
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/** |
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* @typedef StringGenericData |
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* A generic data type contains a std::string variable |
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* |
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* @code |
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* StringGenericData* s = new StringGenericData("MyStringGenericData"); |
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* PropertyMap propMap; |
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* GenericData* gdata; |
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* |
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* s->setData("OpenMD"); |
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* propMap->addProperty(s); |
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* |
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* gdata = propMap->getPropertyByName("MyStringGenericData"); |
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* if (gdata != NULL){ |
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* s = dynamic_cast<StringGenericData*>(gdata); |
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* if (s != NULL) |
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* std::cout << s->getData() << std::endl; |
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* } |
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* |
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* @endcode |
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*/ |
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typedef SimpleTypeData<std::string> StringGenericData; |
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|
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/** |
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* @class STLContainerTypeData |
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* @brief STL container type generic data which is associated with an id |
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* |
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* @template ContainerType |
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* @template ElemDataType |
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*/ |
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template <template<typename ELEM, typename = std::allocator<ELEM> > class ContainerType, |
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typename ElemDataType > |
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class STLContainerTypeData : public GenericData, public ContainerType<ElemDataType>{ |
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public: |
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typedef STLContainerTypeData<ContainerType, ElemDataType> SelfType; |
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typedef ContainerType<ElemDataType> STLContainerType; |
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/** |
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* @class STLContainerTypeData |
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* @brief STL container type generic data which is associated with an id |
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* |
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* \tparam ContainerType |
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* \tparam ElemDataType |
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*/ |
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template <typename ElemDataType > |
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class VectorTypeData : public GenericData { |
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public: |
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typedef VectorTypeData<ElemDataType> SelfType; |
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|
|
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STLContainerTypeData(const std::string& id) |
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: GenericData(id), ContainerType<ElemDataType> () {} |
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VectorTypeData(const std::string& id) |
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: GenericData(id){} |
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|
|
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STLContainerTypeData(const SelfType& s) : SelfType(s){} |
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VectorTypeData(const SelfType& s) : data_(s){} |
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|
|
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SelfType& operator =(const SelfType& s){ |
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if (this == &s) |
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return *this; |
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SelfType& operator =(const SelfType& s){ |
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if (this == &s) |
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return *this; |
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|
|
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STLContainerType::operator=(s); |
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return *this; |
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} |
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}; |
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this->data_ = s.data_; |
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return *this; |
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} |
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|
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private: |
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std::vector<ElemDataType> data_; |
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}; |
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|
|
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/** |
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* @typedef IntVectorGenericData |
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* A generic data type contains a vector<int> variable. |
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*/ |
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typedef STLContainerTypeData<std::vector, int> IntVectorGenericData; |
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/** |
208 |
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* @typedef IntVectorGenericData |
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* A generic data type contains a std::vector<int> variable. |
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*/ |
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> |
typedef VectorTypeData<int> IntVectorGenericData; |
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|
|
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/** |
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* @typedef IntVectorGenericData |
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* A generic data type contains a vector<float> variable. |
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*/ |
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typedef STLContainerTypeData<std::vector, float> FloatVectorGenericData; |
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/** |
214 |
> |
* @typedef IntVectorGenericData |
215 |
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* A generic data type contains a std::vector<float> variable. |
216 |
> |
*/ |
217 |
> |
typedef VectorTypeData<float> FloatVectorGenericData; |
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|
|
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< |
/** |
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* @typedef IntVectorGenericData |
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* A generic data type contains a vector<double> variable. |
222 |
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*/ |
223 |
< |
typedef STLContainerTypeData<std::vector, double> DoubleVectorGenericData; |
219 |
> |
/** |
220 |
> |
* @typedef IntVectorGenericData |
221 |
> |
* A generic data type contains a std::vector<RealType> variable. |
222 |
> |
*/ |
223 |
> |
typedef VectorTypeData<RealType> DoubleVectorGenericData; |
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|
|
225 |
< |
/** |
226 |
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* @typedef StringVectorGenericData |
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< |
* A generic data type contains a vector<string> variable. |
228 |
< |
* |
229 |
< |
* @code |
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* StringVectorGenericData* sv = new StringVectorGenericData("MyStringVector"); |
231 |
< |
* GenericData* gdata; |
232 |
< |
* PropertyMap propMap; |
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< |
* std::vector<std::string>::iterator iter; |
234 |
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* |
235 |
< |
* sv->push_back("Hello World"); |
236 |
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* sv->push_back("OOPSE"); |
237 |
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* |
238 |
< |
* propMap.addProperty(sv); |
239 |
< |
* |
240 |
< |
* gdata = propMap.getProperty("MyStringVector"); |
241 |
< |
* |
242 |
< |
* if (gdata != NULL){ |
243 |
< |
* |
244 |
< |
* sv = dynamic_cast<StringVectorGenericData*>(gdata); |
245 |
< |
* |
246 |
< |
* if (sv != NULL){ |
247 |
< |
* for (iter = sv->begin(); iter != sv->end(); ++ iter) |
248 |
< |
* std::cout << *iter << std::endl; |
249 |
< |
* } |
250 |
< |
* } |
251 |
< |
* @endcode |
252 |
< |
*/ |
253 |
< |
typedef STLContainerTypeData<std::vector, std::string> StringVectorGenericData; |
236 |
< |
|
237 |
< |
/** |
238 |
< |
* @typedef IntVectorGenericData |
239 |
< |
* A generic data type contains a list<vector<string> > variable. |
240 |
< |
*/ |
241 |
< |
typedef STLContainerTypeData<std::list, std::vector<int> > IntVectorListGenericData; |
225 |
> |
/** |
226 |
> |
* @typedef StringVectorGenericData |
227 |
> |
* A generic data type contains a std::vector<string> variable. |
228 |
> |
* |
229 |
> |
* @code |
230 |
> |
* StringVectorGenericData* sv = new StringVectorGenericData("MyStringVector"); |
231 |
> |
* GenericData* gdata; |
232 |
> |
* PropertyMap propMap; |
233 |
> |
* std::vector<std::string>::iterator iter; |
234 |
> |
* |
235 |
> |
* sv->push_back("Hello World"); |
236 |
> |
* sv->push_back("OpenMD"); |
237 |
> |
* |
238 |
> |
* propMap.addProperty(sv); |
239 |
> |
* |
240 |
> |
* gdata = propMap.getPropertyByName("MyStringVector"); |
241 |
> |
* |
242 |
> |
* if (gdata != NULL){ |
243 |
> |
* |
244 |
> |
* sv = dynamic_cast<StringVectorGenericData*>(gdata); |
245 |
> |
* |
246 |
> |
* if (sv != NULL){ |
247 |
> |
* for (iter = sv->begin(); iter != sv->end(); ++ iter) |
248 |
> |
* std::cout << *iter << std::endl; |
249 |
> |
* } |
250 |
> |
* } |
251 |
> |
* @endcode |
252 |
> |
*/ |
253 |
> |
typedef VectorTypeData<std::string> StringVectorGenericData; |
254 |
|
|
243 |
– |
#define CHIVALUE_ID "CHIVALUE" |
244 |
– |
#define INTEGRALOFCHIDT_ID "INTEGRALOFCHIDT" |
245 |
– |
#define ETAVALUE_ID "ETAVALUE" |
255 |
|
|
256 |
< |
} // namespace oopse |
256 |
> |
} // namespace OpenMD |
257 |
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#endif //UTIL _GENERICDATA_HPP |