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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. 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] Vardeman & Gezelter, in progress (2009). |
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* |
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* ParameterManager.hpp |
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* |
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* Created by Charles F. Vardeman II on 11/16/05. |
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* @author Charles F. Vardeman II |
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* @version $Id: ParameterManager.hpp,v 1.6 2009-11-25 20:02:04 gezelter Exp $ |
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* |
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*/ |
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|
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#ifndef UTILS_PARAMETERMANAGER_HPP |
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#define UTILS_PARAMETERMANAGER_HPP |
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|
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#include <iostream> |
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#include <cstdio> |
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|
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#include <stdlib.h> |
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#include <vector> |
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#include <string> |
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#include <map> |
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#include "config.h" |
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|
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|
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#include "utils/simError.h" |
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#include "utils/StringTokenizer.hpp" |
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#include "utils/CaseConversion.hpp" |
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|
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|
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template<typename T> |
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struct ParameterTraits; |
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|
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//string |
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template<> |
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struct ParameterTraits<std::string>{ |
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typedef std::string RepType; // Representation type of the value |
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|
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template<typename T> static bool convert(T v, RepType& r){return false;} // !NB everything is ok |
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template<typename T> static RepType convert(T v) {RepType tmp; convert(v,tmp);return tmp;} |
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static bool convert(RepType v, RepType& r) { r = v; return true;} |
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static std::string getParamType() { return "string";} |
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}; |
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//bool |
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template<> |
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struct ParameterTraits<bool>{ |
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typedef bool RepType; |
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template<typename T> static bool convert(T, RepType&){return false;} |
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template<typename T> static RepType convert(T v) {RepType tmp; convert(v,tmp);return tmp;} |
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static bool convert(std::string v, RepType& r) { |
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OpenMD::toLower(v); |
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bool result = false; |
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if (v == "true") { |
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r = true; |
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result = true; |
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} else if (v == "false") { |
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r = false; |
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result = true; |
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} |
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|
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return result; |
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} |
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static std::string getParamType() { return "bool";} |
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}; |
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|
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//int |
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template<> |
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struct ParameterTraits<int>{ |
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typedef int RepType; |
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template<typename T> static bool convert(T, RepType&){return false;} |
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template<typename T> static RepType convert(T v) {RepType tmp; convert(v,tmp);return tmp;} |
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static bool convert(RepType v, RepType& r) { r=v; return true;} |
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static std::string getParamType() { return "int";} |
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}; |
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|
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//int |
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template<> |
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struct ParameterTraits<unsigned long int>{ |
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typedef unsigned long int RepType; |
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template<typename T> static bool convert(T, RepType&){return false;} |
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template<typename T> static RepType convert(T v) {RepType tmp; convert(v,tmp);return tmp;} |
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static bool convert(RepType v, RepType& r) { r=v; return true;} |
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static bool convert(int v, RepType& r) {r = static_cast<unsigned long int>(v); return true;} |
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static std::string getParamType() { return "unsigned long int";} |
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}; |
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|
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//RealType |
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template<> |
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struct ParameterTraits<RealType>{ |
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typedef RealType RepType; |
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template<typename T> static bool convert(T, RepType&){return false;} |
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template<typename T> static RepType convert(T v) {RepType tmp; convert(v,tmp);return tmp;} |
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static bool convert(RepType v, RepType& r) {r=v; return true;} |
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static bool convert(int v, RepType& r) {r = static_cast<RealType>(v); return true;} |
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static bool convert(unsigned long int v, RepType& r) {r = static_cast<RealType>(v); return true;} |
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static std::string getParamType() { return "RealType";} |
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}; |
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|
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//Pair of ints |
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template<> |
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struct ParameterTraits<std::pair<int, int> >{ |
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typedef std::pair<int, int> RepType; |
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template<typename T> static bool convert(T, RepType&){return false;} |
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template<typename T> static RepType convert(T v) {RepType tmp; convert(v,tmp);return tmp;} |
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static bool convert(RepType v, RepType& r) {r=v; return true;} |
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static bool convert(std::string v, RepType& r) { |
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OpenMD::StringTokenizer tokenizer(v," ;,\t\n\r"); |
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if (tokenizer.countTokens() == 2) { |
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int atom1 = tokenizer.nextTokenAsInt(); |
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int atom2 = tokenizer.nextTokenAsInt(); |
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r = std::make_pair(atom1, atom2); |
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return true; |
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} else { |
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sprintf(painCave.errMsg, |
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"ParameterManager Error: " |
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"Not enough tokens to make pair!\n"); |
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painCave.severity = OPENMD_ERROR; |
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painCave.isFatal = 1; |
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simError(); |
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} |
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return false; |
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} |
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static std::string getParamType() { return "std::pair<int, int>";} |
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}; |
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|
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|
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class ParameterBase { |
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public: |
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ParameterBase() : keyword_(), optional_(false), defaultValue_(false), empty_(true) {} |
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virtual ~ParameterBase() {} |
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bool isOptional() {return optional_;} |
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void setOptional(bool optional) {optional_ = optional;} |
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bool hasDefaultValue() {return defaultValue_;} |
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virtual bool isValid() { return true;} |
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const std::string& getKeyword() {return keyword_;} |
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void setKeyword(const std::string& keyword) { keyword_ = keyword;} |
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bool empty() {return empty_;} |
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virtual bool setData(std::string) = 0; |
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virtual bool setData(int) = 0; |
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virtual bool setData(unsigned long int) = 0; |
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virtual bool setData(RealType) = 0; |
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virtual bool setData(std::pair<int, int>) = 0; |
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virtual std::string getParamType() = 0; |
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protected: |
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std::string keyword_; |
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bool optional_; |
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bool defaultValue_; |
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bool empty_; |
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}; |
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|
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template<class ParamType> |
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class Parameter : public ParameterBase{ |
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public: |
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typedef ParameterTraits<ParamType> ValueType; |
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void setDefaultValue(const ParamType& value) {data_ = value; defaultValue_ = true;} |
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ParamType getData() { return data_;} |
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|
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virtual bool setData(std::string sval) { |
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return internalSetData<std::string>(sval); |
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} |
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|
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virtual bool setData(int ival) { |
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return internalSetData<int>(ival); |
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} |
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|
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virtual bool setData(unsigned long int lival) { |
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return internalSetData<unsigned long int>(lival); |
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} |
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|
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virtual bool setData(RealType dval) { |
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return internalSetData<RealType>(dval); |
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} |
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|
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virtual bool setData(std::pair<int, int> pval) { |
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return internalSetData<std::pair<int, int> >(pval); |
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} |
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|
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virtual std::string getParamType() { return ParameterTraits<ParamType>::getParamType();} |
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private: |
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template<class T> bool internalSetData(T data) { |
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ParamType tmp; |
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bool result = ValueType::convert(data, tmp); |
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if (result) { |
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empty_ = false; |
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data_ = tmp; |
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} |
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return result; |
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} |
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|
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private: |
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ParamType data_; |
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|
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}; |
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|
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#define DeclareParameter(NAME, TYPE) \ |
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private: \ |
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Parameter<TYPE> NAME; \ |
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public: \ |
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bool have##NAME() { return !NAME.empty();} \ |
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TYPE get##NAME() { return NAME.getData();} |
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|
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|
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|
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#define DefineParameter(NAME,KEYWORD) \ |
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NAME.setKeyword(KEYWORD); \ |
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parameters_.insert(std::map<std::string, ParameterBase*>::value_type(std::string(KEYWORD), static_cast<ParameterBase*>(&NAME))); |
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|
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#define DefineOptionalParameter(NAME,KEYWORD) \ |
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NAME.setKeyword(KEYWORD); NAME.setOptional(true); \ |
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parameters_.insert(std::map<std::string, ParameterBase*>::value_type(std::string(KEYWORD), static_cast<ParameterBase*>(&NAME))); |
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|
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#define DefineOptionalParameterWithDefaultValue(NAME,KEYWORD, DEFAULTVALUE) \ |
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NAME.setKeyword(KEYWORD); NAME.setOptional(true); NAME.setDefaultValue(DEFAULTVALUE); \ |
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parameters_.insert(std::map<std::string, ParameterBase*>::value_type(std::string(KEYWORD), static_cast<ParameterBase*>(&NAME))); |
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|
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#define CheckParameter(NAME, CONSTRAINT) \ |
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if (!NAME.empty()) { if (!(CONSTRAINT)(NAME.getData())) { sprintf(painCave.errMsg,"Error in checking %s : should be %s\n",NAME.getKeyword().c_str(),(CONSTRAINT).getConstraintDescription().c_str()); painCave.isFatal = 1; painCave.severity = OPENMD_ERROR; simError();} } |
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|
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|
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|
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#endif |