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root/group/trunk/OOPSE-4/src/utils/ParameterManager.hpp
Revision: 3448
Committed: Thu Sep 11 19:40:59 2008 UTC (15 years, 9 months 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.

File Contents

# 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