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root/OpenMD/trunk/src/utils/ParameterManager.hpp

Comparing trunk/src/utils/ParameterManager.hpp (file contents):
Revision 817 by tim, Fri Dec 16 18:55:55 2005 UTC vs.
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC

#	Line 6 | Line 6
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
9	>	* 1. Redistributions of source code must retain the above copyright
10		*    notice, this list of conditions and the following disclaimer.
11		*
12	<	* 3. Redistributions in binary form must reproduce the above copyright
12	>	* 2. Redistributions in binary form must reproduce the above copyright
13		*    notice, this list of conditions and the following disclaimer in the
14		*    documentation and/or other materials provided with the
15		*    distribution.
#	Line 38 | Line 29
29		* University of Notre Dame has been advised of the possibility of
30		* such damages.
31		*
32	+	* SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33	+	* research, please cite the appropriate papers when you publish your
34	+	* work.  Good starting points are:
35	+	*
36	+	* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37	+	* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38	+	* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	+	* [4]  Vardeman & Gezelter, in progress (2009).
40		*
41		*  ParameterManager.hpp
43	–	*  OOPSE-2.0
42		*
43		*  Created by Charles F. Vardeman II on 11/16/05.
44		*  @author  Charles F. Vardeman II
45	<	*  @version $Id: ParameterManager.hpp,v 1.2 2005-12-16 18:55:55 tim Exp $
45	>	*  @version $Id$
46		*
47		*/
48
#	Line 52 | Line 50
50		#define UTILS_PARAMETERMANAGER_HPP
51
52		#include <iostream>
53	+	#include <cstdio>
54
55		#include <stdlib.h>
56		#include <vector>
57		#include <string>
58		#include <map>
59	+	#include "config.h"
60
61
62	<
62	>	#include "utils/simError.h"
63	>	#include "utils/StringTokenizer.hpp"
64		#include "utils/CaseConversion.hpp"
65
66
66	–
67		template<typename T>
68		struct ParameterTraits;
69
#	Line 84 | Line 84 | struct ParameterTraits<bool>{
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);
87	>	OpenMD::toLower(v);
88		bool result = false;
89		if (v == "true") {
90		r = true;
#	Line 109 | Line 109 | struct ParameterTraits<int>{
109		static std::string getParamType() { return "int";}
110		};
111
112	<	//double
112	>	//int
113	>	template<>
114	>	struct ParameterTraits<unsigned long int>{
115	>	typedef unsigned long int RepType;
116	>	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	>	static bool convert(int v, RepType& r)                {r = static_cast<unsigned long int>(v); return true;}
120	>	static std::string getParamType() { return "unsigned long int";}
121	>	};
122	>
123	>	//RealType
124		template<>
125	<	struct ParameterTraits<double>{
126	<	typedef double RepType;
125	>	struct ParameterTraits<RealType>{
126	>	typedef RealType 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(int v, RepType& r)                {r = static_cast<double>(v); return true;}
131	<	static std::string getParamType() { return "double";}
130	>	static bool convert(int v, RepType& r)                {r = static_cast<RealType>(v); return true;}
131	>	static bool convert(unsigned long int v, RepType& r)  {r = static_cast<RealType>(v); return true;}
132	>	static std::string getParamType() { return "RealType";}
133		};
134
135	+	//Pair of ints
136	+	template<>
137	+	struct ParameterTraits<std::pair<int, int> >{
138	+	typedef std::pair<int, int>  RepType;
139	+	template<typename T> static bool    convert(T, RepType&){return false;}
140	+	template<typename T> static RepType convert(T v)        {RepType tmp; convert(v,tmp);return tmp;}
141	+	static bool convert(RepType v, RepType& r)            {r=v; return true;}
142	+	static bool convert(std::string v, RepType& r) {
143	+	OpenMD::StringTokenizer tokenizer(v," ;,\t\n\r");
144	+	if (tokenizer.countTokens() == 2) {
145	+	int atom1 = tokenizer.nextTokenAsInt();
146	+	int atom2 = tokenizer.nextTokenAsInt();
147	+	r = std::make_pair(atom1, atom2);
148	+	return true;
149	+	} else {
150	+	sprintf(painCave.errMsg,
151	+	"ParameterManager Error: "
152	+	"Not enough tokens to make pair!\n");
153	+	painCave.severity = OPENMD_ERROR;
154	+	painCave.isFatal = 1;
155	+	simError();
156	+	}
157	+	return false;
158	+	}
159	+	static std::string getParamType() { return "std::pair<int, int>";}
160	+	};
161
162	+
163		class ParameterBase {
164		public:
165		ParameterBase() : keyword_(), optional_(false), defaultValue_(false), empty_(true) {}
#	Line 134 | Line 173 | class ParameterBase { (public)
173		bool empty() {return empty_;}
174		virtual bool setData(std::string) = 0;
175		virtual bool setData(int) = 0;
176	<	virtual bool setData(double) = 0;
176	>	virtual bool setData(unsigned long int) = 0;
177	>	virtual bool setData(RealType) = 0;
178	>	virtual bool setData(std::pair<int, int>) = 0;
179		virtual std::string getParamType() = 0;
180		protected:
181	<	std::string keyword_;
181	>	std::string keyword_;
182		bool optional_;
183		bool defaultValue_;
184		bool empty_;
#	Line 153 | Line 194 | class Parameter : public ParameterBase{ (public)
194		virtual bool setData(std::string sval) {
195		return internalSetData<std::string>(sval);
196		}
197	+
198		virtual bool setData(int ival) {
199		return internalSetData<int>(ival);
200		}
201	+
202	+	virtual bool setData(unsigned long int lival) {
203	+	return internalSetData<unsigned long int>(lival);
204	+	}
205
206	<	virtual bool setData(double dval) {
207	<	return internalSetData<double>(dval);
206	>	virtual bool setData(RealType dval) {
207	>	return internalSetData<RealType>(dval);
208		}
209	+
210	+	virtual bool setData(std::pair<int, int> pval) {
211	+	return internalSetData<std::pair<int, int> >(pval);
212	+	}
213
214		virtual std::string getParamType() { return ParameterTraits<ParamType>::getParamType();}
215		private:
#	Line 200 | Line 250 | parameters_.insert(std::map<std::string, ParameterBase
250		parameters_.insert(std::map<std::string, ParameterBase*>::value_type(std::string(KEYWORD), static_cast<ParameterBase*>(&NAME)));
251
252		#define CheckParameter(NAME, CONSTRAINT)                              \
253	<	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();} }
253	>	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();} }
254
255
256

Comparing trunk/src/utils/ParameterManager.hpp (property svn:keywords):
Revision 817 by tim, Fri Dec 16 18:55:55 2005 UTC vs.
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC

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