src/utils/ParameterManager.hpp

/*
 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
 *
 * The University of Notre Dame grants you ("Licensee") a
 * non-exclusive, royalty free, license to use, modify and
 * redistribute this software in source and binary code form, provided
 * that the following conditions are met:
 *
 * 1. Acknowledgement of the program authors must be made in any
 *    publication of scientific results based in part on use of the
 *    program.  An acceptable form of acknowledgement is citation of
 *    the article in which the program was described (Matthew
 *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
 *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
 *    Parallel Simulation Engine for Molecular Dynamics,"
 *    J. Comput. Chem. 26, pp. 252-271 (2005))
 *
 * 2. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 3. Redistributions in binary form must reproduce the above copyright
 *    notice, this list of conditions and the following disclaimer in the
 *    documentation and/or other materials provided with the
 *    distribution.
 *
 * This software is provided "AS IS," without a warranty of any
 * kind. All express or implied conditions, representations and
 * warranties, including any implied warranty of merchantability,
 * fitness for a particular purpose or non-infringement, are hereby
 * excluded.  The University of Notre Dame and its licensors shall not
 * be liable for any damages suffered by licensee as a result of
 * using, modifying or distributing the software or its
 * derivatives. In no event will the University of Notre Dame or its
 * licensors be liable for any lost revenue, profit or data, or for
 * direct, indirect, special, consequential, incidental or punitive
 * damages, however caused and regardless of the theory of liability,
 * arising out of the use of or inability to use software, even if the
 * University of Notre Dame has been advised of the possibility of
 * such damages.
 *
 *
 *  ParameterManager.hpp
 *  OOPSE-2.0
 *
 *  Created by Charles F. Vardeman II on 11/16/05.
 *  @author  Charles F. Vardeman II 
 *  @version $Id: ParameterManager.hpp,v 1.4 2008-09-11 19:40:59 gezelter Exp $
 *
 */

#ifndef UTILS_PARAMETERMANAGER_HPP
#define UTILS_PARAMETERMANAGER_HPP

#include <iostream>

#include <stdlib.h>
#include <vector>
#include <string>
#include <map>
#include "config.h"


#include "utils/simError.h"
#include "utils/StringTokenizer.hpp"
#include "utils/CaseConversion.hpp"

template<typename T> 
struct ParameterTraits;

//string
template<>                     
struct ParameterTraits<std::string>{
  typedef std::string RepType;       // Representation type of the value
  
  template<typename T> static bool    convert(T v, RepType& r){return false;} // !NB everything is ok
  template<typename T> static RepType convert(T v)            {RepType tmp; convert(v,tmp);return tmp;} 
  static bool convert(RepType v, RepType& r) { r = v; return true;}
  static std::string getParamType() { return "string";}  
}; 
//bool
template<>                     
struct ParameterTraits<bool>{
  typedef bool RepType;
  template<typename T> static bool    convert(T, RepType&){return false;} 
  template<typename T> static RepType convert(T v)        {RepType tmp; convert(v,tmp);return tmp;} 
  static bool convert(std::string v, RepType& r) { 
    oopse::toLower(v); 
    bool result = false;
    if (v == "true") {
      r = true;
      result = true;
    } else if (v == "false") {
      r = false;
      result = true;
    }
    
    return result;
  }
  static std::string getParamType() { return "bool";}  
};

//int   
template<>
struct ParameterTraits<int>{
  typedef int RepType;
  template<typename T> static bool    convert(T, RepType&){return false;} 
  template<typename T> static RepType convert(T v)        {RepType tmp; convert(v,tmp);return tmp;} 
  static bool convert(RepType v, RepType& r)            { r=v; return true;}
  static std::string getParamType() { return "int";}  
};

//RealType
template<>                     
struct ParameterTraits<RealType>{
  typedef RealType RepType;
  template<typename T> static bool    convert(T, RepType&){return false;} 
  template<typename T> static RepType convert(T v)        {RepType tmp; convert(v,tmp);return tmp;} 
  static bool convert(RepType v, RepType& r)            {r=v; return true;}
  static bool convert(int v, RepType& r)                {r = static_cast<RealType>(v); return true;}
  static std::string getParamType() { return "RealType";}    
};

//Pair of ints
template<>                     
struct ParameterTraits<std::pair<int, int> >{
  typedef std::pair<int, int>  RepType;
  template<typename T> static bool    convert(T, RepType&){return false;} 
  template<typename T> static RepType convert(T v)        {RepType tmp; convert(v,tmp);return tmp;} 
  static bool convert(RepType v, RepType& r)            {r=v; return true;}
  static bool convert(std::string v, RepType& r) { 
    oopse::StringTokenizer tokenizer(v," ;,\t\n\r");
    if (tokenizer.countTokens() == 2) {
      int atom1 = tokenizer.nextTokenAsInt();
      int atom2 = tokenizer.nextTokenAsInt();
      r = std::make_pair(atom1, atom2);
      return true;
    } else {
      sprintf(painCave.errMsg, 
              "ParameterManager Error: "
              "Not enough tokens to make pair!\n");
      painCave.severity = OOPSE_ERROR;
      painCave.isFatal = 1;
      simError();    
    }
    return false;
  }
  static std::string getParamType() { return "std::pair<int, int>";}    
};


class ParameterBase {
public:    
  ParameterBase() : keyword_(), optional_(false), defaultValue_(false), empty_(true) {}
  virtual ~ParameterBase() {}
  bool isOptional() {return optional_;}
  void setOptional(bool optional) {optional_ = optional;}
  bool hasDefaultValue() {return defaultValue_;}
  virtual bool isValid() { return true;}
  const std::string& getKeyword() {return keyword_;}
  void setKeyword(const std::string& keyword) { keyword_ = keyword;}
  bool empty() {return empty_;}
  virtual bool setData(std::string) = 0;
  virtual bool setData(int) = 0;
  virtual bool setData(RealType) = 0;
  virtual bool setData(std::pair<int, int>) = 0;
  virtual std::string getParamType() = 0;
protected:
    std::string keyword_;
  bool optional_;
  bool defaultValue_;
  bool empty_;
};

template<class ParamType>
class Parameter : public ParameterBase{
public:    
  typedef ParameterTraits<ParamType> ValueType;
  void setDefaultValue(const ParamType& value) {data_ = value; defaultValue_ = true;}
  ParamType getData() { return data_;}
  
  virtual bool setData(std::string sval) {
    return internalSetData<std::string>(sval);
  }
  virtual bool setData(int ival) {
    return internalSetData<int>(ival);
  }
  
  virtual bool setData(RealType dval) {
    return internalSetData<RealType>(dval);
  }

  virtual bool setData(std::pair<int, int> pval) {
    return internalSetData<std::pair<int, int> >(pval);
  }
  
  virtual std::string getParamType() { return ParameterTraits<ParamType>::getParamType();}
private: 
    template<class T> bool internalSetData(T data) {
      ParamType tmp;
      bool result = ValueType::convert(data, tmp);
      if (result) {
        empty_ = false;
        data_ = tmp;
      }
      return result;
    }
  
private:
    ParamType data_;
  
};

#define DeclareParameter(NAME, TYPE)         \
private:                                                   \
Parameter<TYPE> NAME;                                     \
public:                                                      \
bool have##NAME() { return !NAME.empty();}  \
TYPE get##NAME() { return NAME.getData();}


#define DefineParameter(NAME,KEYWORD)                              \
NAME.setKeyword(KEYWORD);                  \
parameters_.insert(std::map<std::string, ParameterBase*>::value_type(std::string(KEYWORD), static_cast<ParameterBase*>(&NAME)));

#define DefineOptionalParameter(NAME,KEYWORD)                              \
NAME.setKeyword(KEYWORD); NAME.setOptional(true);                    \
parameters_.insert(std::map<std::string, ParameterBase*>::value_type(std::string(KEYWORD), static_cast<ParameterBase*>(&NAME)));

#define DefineOptionalParameterWithDefaultValue(NAME,KEYWORD, DEFAULTVALUE)                              \
NAME.setKeyword(KEYWORD); NAME.setOptional(true); NAME.setDefaultValue(DEFAULTVALUE);                      \
parameters_.insert(std::map<std::string, ParameterBase*>::value_type(std::string(KEYWORD), static_cast<ParameterBase*>(&NAME)));

#define CheckParameter(NAME, CONSTRAINT)                              \
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 = OOPSE_ERROR; simError();} }                 


#endif
Revision:	3448
Committed:	Thu Sep 11 19:40:59 2008 UTC (17 years, 1 month ago) by gezelter
File size:	8983 byte(s)
Log Message:	Added some logic to print out a special pair distance as a column in the stat file. To use this feature, use taggedAtomPair = "0, 10" and printTaggedPairDistance = "true" in the md file. Then, the distance between integrableObjects 0 and 10 will be computed and printed in the stat file on each statWrite.
#	User	Rev	Content
1	chuckv	2447	/*
2			* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3			*
4			* The University of Notre Dame grants you ("Licensee") a
5			* non-exclusive, royalty free, license to use, modify and
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
19			* notice, this list of conditions and the following disclaimer.
20			*
21			* 3. Redistributions in binary form must reproduce the above copyright
22			* notice, this list of conditions and the following disclaimer in the
23			* documentation and/or other materials provided with the
24			* distribution.
25			*
26			* This software is provided "AS IS," without a warranty of any
27			* kind. All express or implied conditions, representations and
28			* warranties, including any implied warranty of merchantability,
29			* fitness for a particular purpose or non-infringement, are hereby
30			* excluded. The University of Notre Dame and its licensors shall not
31			* be liable for any damages suffered by licensee as a result of
32			* using, modifying or distributing the software or its
33			* derivatives. In no event will the University of Notre Dame or its
34			* licensors be liable for any lost revenue, profit or data, or for
35			* direct, indirect, special, consequential, incidental or punitive
36			* damages, however caused and regardless of the theory of liability,
37			* arising out of the use of or inability to use software, even if the
38			* University of Notre Dame has been advised of the possibility of
39			* such damages.
40			*
41			*
42			* ParameterManager.hpp
43			* OOPSE-2.0
44			*
45			* Created by Charles F. Vardeman II on 11/16/05.
46			* @author Charles F. Vardeman II
47	gezelter	3448	* @version $Id: ParameterManager.hpp,v 1.4 2008-09-11 19:40:59 gezelter Exp $
48	chuckv	2447	*
49			*/
50
51			#ifndef UTILS_PARAMETERMANAGER_HPP
52			#define UTILS_PARAMETERMANAGER_HPP
53
54			#include <iostream>
55
56			#include <stdlib.h>
57			#include <vector>
58			#include <string>
59			#include <map>
60	tim	2759	#include "config.h"
61	chuckv	2447
62
63	gezelter	3448	#include "utils/simError.h"
64			#include "utils/StringTokenizer.hpp"
65	chuckv	2447	#include "utils/CaseConversion.hpp"
66
67			template<typename T>
68			struct ParameterTraits;
69
70			//string
71			template<>
72			struct ParameterTraits<std::string>{
73			typedef std::string RepType; // Representation type of the value
74
75			template<typename T> static bool convert(T v, RepType& r){return false;} // !NB everything is ok
76			template<typename T> static RepType convert(T v) {RepType tmp; convert(v,tmp);return tmp;}
77			static bool convert(RepType v, RepType& r) { r = v; return true;}
78			static std::string getParamType() { return "string";}
79			};
80			//bool
81			template<>
82			struct ParameterTraits<bool>{
83			typedef bool RepType;
84			template<typename T> static bool convert(T, RepType&){return false;}
85			template<typename T> static RepType convert(T v) {RepType tmp; convert(v,tmp);return tmp;}
86			static bool convert(std::string v, RepType& r) {
87			oopse::toLower(v);
88			bool result = false;
89			if (v == "true") {
90			r = true;
91			result = true;
92			} else if (v == "false") {
93			r = false;
94			result = true;
95			}
96
97			return result;
98			}
99			static std::string getParamType() { return "bool";}
100			};
101
102			//int
103			template<>
104			struct ParameterTraits<int>{
105			typedef int RepType;
106			template<typename T> static bool convert(T, RepType&){return false;}
107			template<typename T> static RepType convert(T v) {RepType tmp; convert(v,tmp);return tmp;}
108			static bool convert(RepType v, RepType& r) { r=v; return true;}
109			static std::string getParamType() { return "int";}
110			};
111
112	tim	2759	//RealType
113	chuckv	2447	template<>
114	tim	2759	struct ParameterTraits<RealType>{
115			typedef RealType RepType;
116	chuckv	2447	template<typename T> static bool convert(T, RepType&){return false;}
117			template<typename T> static RepType convert(T v) {RepType tmp; convert(v,tmp);return tmp;}
118			static bool convert(RepType v, RepType& r) {r=v; return true;}
119	tim	2759	static bool convert(int v, RepType& r) {r = static_cast<RealType>(v); return true;}
120			static std::string getParamType() { return "RealType";}
121	chuckv	2447	};
122
123	gezelter	3448	//Pair of ints
124			template<>
125			struct ParameterTraits<std::pair<int, int> >{
126			typedef std::pair<int, int> RepType;
127			template<typename T> static bool convert(T, RepType&){return false;}
128			template<typename T> static RepType convert(T v) {RepType tmp; convert(v,tmp);return tmp;}
129			static bool convert(RepType v, RepType& r) {r=v; return true;}
130			static bool convert(std::string v, RepType& r) {
131			oopse::StringTokenizer tokenizer(v," ;,\t\n\r");
132			if (tokenizer.countTokens() == 2) {
133			int atom1 = tokenizer.nextTokenAsInt();
134			int atom2 = tokenizer.nextTokenAsInt();
135			r = std::make_pair(atom1, atom2);
136			return true;
137			} else {
138			sprintf(painCave.errMsg,
139			"ParameterManager Error: "
140			"Not enough tokens to make pair!\n");
141			painCave.severity = OOPSE_ERROR;
142			painCave.isFatal = 1;
143			simError();
144			}
145			return false;
146			}
147			static std::string getParamType() { return "std::pair<int, int>";}
148			};
149	chuckv	2447
150	gezelter	3448
151	chuckv	2447	class ParameterBase {
152			public:
153			ParameterBase() : keyword_(), optional_(false), defaultValue_(false), empty_(true) {}
154			virtual ~ParameterBase() {}
155			bool isOptional() {return optional_;}
156			void setOptional(bool optional) {optional_ = optional;}
157			bool hasDefaultValue() {return defaultValue_;}
158			virtual bool isValid() { return true;}
159			const std::string& getKeyword() {return keyword_;}
160			void setKeyword(const std::string& keyword) { keyword_ = keyword;}
161			bool empty() {return empty_;}
162			virtual bool setData(std::string) = 0;
163			virtual bool setData(int) = 0;
164	tim	2759	virtual bool setData(RealType) = 0;
165	gezelter	3448	virtual bool setData(std::pair<int, int>) = 0;
166	chuckv	2447	virtual std::string getParamType() = 0;
167			protected:
168			std::string keyword_;
169			bool optional_;
170			bool defaultValue_;
171			bool empty_;
172			};
173
174			template<class ParamType>
175			class Parameter : public ParameterBase{
176			public:
177			typedef ParameterTraits<ParamType> ValueType;
178			void setDefaultValue(const ParamType& value) {data_ = value; defaultValue_ = true;}
179			ParamType getData() { return data_;}
180
181			virtual bool setData(std::string sval) {
182			return internalSetData<std::string>(sval);
183			}
184			virtual bool setData(int ival) {
185			return internalSetData<int>(ival);
186			}
187
188	tim	2759	virtual bool setData(RealType dval) {
189			return internalSetData<RealType>(dval);
190	chuckv	2447	}
191	gezelter	3448
192			virtual bool setData(std::pair<int, int> pval) {
193			return internalSetData<std::pair<int, int> >(pval);
194			}
195	chuckv	2447
196			virtual std::string getParamType() { return ParameterTraits<ParamType>::getParamType();}
197			private:
198			template<class T> bool internalSetData(T data) {
199			ParamType tmp;
200			bool result = ValueType::convert(data, tmp);
201			if (result) {
202			empty_ = false;
203			data_ = tmp;
204			}
205			return result;
206			}
207
208			private:
209			ParamType data_;
210
211			};
212
213			#define DeclareParameter(NAME, TYPE) \
214			private: \
215			Parameter<TYPE> NAME; \
216			public: \
217			bool have##NAME() { return !NAME.empty();} \
218			TYPE get##NAME() { return NAME.getData();}
219
220
221
222			#define DefineParameter(NAME,KEYWORD) \
223			NAME.setKeyword(KEYWORD); \
224	tim	2516	parameters_.insert(std::map<std::string, ParameterBase>::value_type(std::string(KEYWORD), static_cast<ParameterBase>(&NAME)));
225	chuckv	2447
226			#define DefineOptionalParameter(NAME,KEYWORD) \
227			NAME.setKeyword(KEYWORD); NAME.setOptional(true); \
228	tim	2516	parameters_.insert(std::map<std::string, ParameterBase>::value_type(std::string(KEYWORD), static_cast<ParameterBase>(&NAME)));
229	chuckv	2447
230			#define DefineOptionalParameterWithDefaultValue(NAME,KEYWORD, DEFAULTVALUE) \
231			NAME.setKeyword(KEYWORD); NAME.setOptional(true); NAME.setDefaultValue(DEFAULTVALUE); \
232	tim	2516	parameters_.insert(std::map<std::string, ParameterBase>::value_type(std::string(KEYWORD), static_cast<ParameterBase>(&NAME)));
233	chuckv	2447
234			#define CheckParameter(NAME, CONSTRAINT) \
235			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 = OOPSE_ERROR; simError();} }
236
237
238
239			#endif