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#ifndef __GENERICDATA_H__ |
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#define __GENERICDATA_H__ |
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/* |
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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. Acknowledgement of the program authors must be made in any |
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* publication of scientific results based in part on use of the |
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* program. An acceptable form of acknowledgement is citation of |
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* the article in which the program was described (Matthew |
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* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
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* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
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* Parallel Simulation Engine for Molecular Dynamics," |
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* J. Comput. Chem. 26, pp. 252-271 (2005)) |
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* |
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* 2. 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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* 3. 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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|
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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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#ifndef UTIL_GENERICDATA_HPP |
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#define UTIL_GENERICDATA_HPP |
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|
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#include <algorithm> |
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#include <list> |
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#include <string> |
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#include <vector> |
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#include "config.h" |
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namespace oopse{ |
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|
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#define ZCONSTIME_ID "ZCONSTIME" |
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#define ZCONSPARADATA_ID "ZCONSPARA" |
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#define ZCONSFILENAME_ID "ZCONSFILENAME" |
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#define ZCONSTOL_ID "ZCONSTOL" |
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#define ZCONSFORCEPOLICY_ID "ZCONSFORCEPOLICY" |
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#define ZCONSGAP_ID "ZCONSGAP" |
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#define ZCONSFIXTIME_ID "ZCONSFIXTIME" |
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#define ZCONSUSINGSMD_ID "ZCONSUSINGSMD" |
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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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#define CHIVALUE_ID "CHIVALUE" |
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#define INTEGRALOFCHIDT_ID "INTEGRALOFCHIDT" |
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#define ETAVALUE_ID "ETAVALUE" |
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GenericData(const std::string& id) { setID(id); } |
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|
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using namespace std; |
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//////////////////////////////////////////////////////////////////////////////// |
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//Declaration of GenericData |
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//////////////////////////////////////////////////////////////////////////////// |
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class GenericData |
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{ |
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public: |
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GenericData(); |
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GenericData(const GenericData& rhs) { id = rhs.getID(); } |
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GenericData& operator =(const GenericData& rhs); |
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/** virtual destructor */ |
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virtual ~GenericData() {} |
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|
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const string& getID() const { return id; } |
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void setID(const string& rhs) { id = rhs; } |
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|
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protected: |
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string id; |
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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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/** |
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* Something we can improve it here is to use template |
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*/ |
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//////////////////////////////////////////////////////////////////////////////// |
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//Declaration of IntData |
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//////////////////////////////////////////////////////////////////////////////// |
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class IntData : public GenericData{ |
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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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public: |
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|
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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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double getData() { return data; } |
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void setData(int rhs) { data = rhs; } |
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}; |
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|
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protected: |
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int data; |
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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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//////////////////////////////////////////////////////////////////////////////// |
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//Declaration of DoubleData |
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//////////////////////////////////////////////////////////////////////////////// |
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class DoubleData : 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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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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double getData() { return data; } |
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void setData(double rhs) { data = rhs; } |
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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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|
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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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|
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protected: |
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double 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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//////////////////////////////////////////////////////////////////////////////// |
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//Declaration of StringData |
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//////////////////////////////////////////////////////////////////////////////// |
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class StringData : public GenericData{ |
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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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public: |
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const string& getData() const { return data; } |
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void setData(const string& rhs) { data = rhs; } |
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protected: |
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string data; |
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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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|
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//////////////////////////////////////////////////////////////////////////////// |
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//Declaration of BoolData |
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//////////////////////////////////////////////////////////////////////////////// |
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class BoolData : public GenericData{ |
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public: |
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bool getData() const { return data; } |
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void setData(const bool rhs) { data = rhs; } |
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protected: |
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bool data; |
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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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}; |
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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 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("OOPSE"); |
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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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//Declaration of ZConsParaData |
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//////////////////////////////////////////////////////////////////////////////// |
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struct ZConsParaItem { |
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int zconsIndex; |
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bool havingZPos; |
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double zPos; |
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double kRatio; |
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bool havingCantVel; |
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double cantVel; |
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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 <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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class ZConsParaData : public GenericData{ |
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VectorTypeData(const std::string& id) |
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: GenericData(id){} |
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|
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VectorTypeData(const SelfType& s) : data_(s){} |
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|
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public: |
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ZConsParaData(); |
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void addItem(ZConsParaItem& item) {data.push_back(item);} |
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vector<ZConsParaItem>* getData() {return &data;} |
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void setData(vector<ZConsParaItem>& theData) {data = theData;} |
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void sortByIndex(); |
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bool isIndexUnique(); |
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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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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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vector<ZConsParaItem> data; |
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std::vector<ElemDataType> data_; |
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}; |
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|
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class ZConsParaSortCriterion{ |
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public: |
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bool operator ()(const ZConsParaItem& item1, const ZConsParaItem& item2){ |
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return item1.zconsIndex < item2.zconsIndex; |
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} |
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/** |
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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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/** |
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* @typedef IntVectorGenericData |
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* A generic data type contains a std::vector<float> variable. |
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*/ |
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typedef VectorTypeData<float> FloatVectorGenericData; |
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|
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//////////////////////////////////////////////////////////////////////////////// |
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//Declaration of IntData |
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//////////////////////////////////////////////////////////////////////////////// |
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class DoubleArrayData : public GenericData{ |
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/** |
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* @typedef IntVectorGenericData |
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* A generic data type contains a std::vector<RealType> variable. |
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*/ |
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typedef VectorTypeData<RealType> DoubleVectorGenericData; |
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|
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public: |
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vector<double> getData() const { return data; } |
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void setData(double* source, int num){ |
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data.clear(); |
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for(int i = 0; i < num; i++) |
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data.push_back(source[i]); |
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} |
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protected: |
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vector<double> data; |
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}; |
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/** |
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* @typedef StringVectorGenericData |
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* A generic data type contains a std::vector<string> variable. |
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* |
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* @code |
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* StringVectorGenericData* sv = new StringVectorGenericData("MyStringVector"); |
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* GenericData* gdata; |
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* PropertyMap propMap; |
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* std::vector<std::string>::iterator iter; |
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* |
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* sv->push_back("Hello World"); |
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* sv->push_back("OOPSE"); |
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* |
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* propMap.addProperty(sv); |
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* |
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* gdata = propMap.getPropertyByName("MyStringVector"); |
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* |
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* if (gdata != NULL){ |
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* |
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* sv = dynamic_cast<StringVectorGenericData*>(gdata); |
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* |
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* if (sv != NULL){ |
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* for (iter = sv->begin(); iter != sv->end(); ++ iter) |
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* std::cout << *iter << std::endl; |
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* } |
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* } |
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* @endcode |
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*/ |
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typedef VectorTypeData<std::string> StringVectorGenericData; |
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|
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|
|
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//////////////////////////////////////////////////////////////////////////////// |
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//Declaration of AtomData |
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//////////////////////////////////////////////////////////////////////////////// |
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struct AtomInfo : public GenericData{ |
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public: |
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string AtomType; |
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double pos[3]; |
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double dipole[3]; |
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}; |
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|
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class AtomData : public GenericData{ |
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public: |
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~AtomData(); |
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void addAtomInfo(AtomInfo* info) {data.push_back(info);} |
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void clearAllAtomInfo(); |
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AtomInfo* beginAtomInfo(vector<AtomInfo*>::iterator& i){ |
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i = data.begin(); |
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return i != data.end()? *i : NULL; |
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} |
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AtomInfo* nextAtomInfo(vector<AtomInfo*>::iterator& i){ |
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++i; |
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return i != data.end()? *i: NULL; |
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} |
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vector<AtomInfo*> getData() {return data;} |
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int getSize() {return data.size();} |
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protected: |
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vector<AtomInfo*> data; |
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}; |
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|
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#endif |
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} // namespace oopse |
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#endif //UTIL _GENERICDATA_HPP |