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

Comparing trunk/src/utils/ParameterManager.hpp (file contents):
Revision 748 by chuckv, Wed Nov 16 21:37:45 2005 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 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	<	*
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] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	>	* [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
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 1.1 2005-11-16 21:37:45 chuckv 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	+	"Incorrect number of tokens to make a 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	+	//OpenMD's internal Vector3d
163	+	template<>
164	+	struct ParameterTraits<OpenMD::Vector3d >{
165	+	typedef OpenMD::Vector3d  RepType;
166	+	template<typename T> static bool    convert(T, RepType&){return false;}
167	+	template<typename T> static RepType convert(T v)        {RepType tmp; convert(v,tmp);return tmp;}
168	+	static bool convert(RepType v, RepType& r)            {r=v; return true;}
169	+	static bool convert(std::string v, RepType& r) {
170	+	std::cerr << "calling tokenizer\n";
171	+	OpenMD::StringTokenizer tokenizer(v," ();,\t\n\r");
172	+	if (tokenizer.countTokens() == 3) {
173	+	RealType v1 = tokenizer.nextTokenAsDouble();
174	+	RealType v2 = tokenizer.nextTokenAsDouble();
175	+	RealType v3 = tokenizer.nextTokenAsDouble();
176	+	r = OpenMD::Vector3d(v1, v2, v3);
177	+	return true;
178	+	} else {
179	+	sprintf(painCave.errMsg,
180	+	"ParameterManager Error: "
181	+	"Incorrect number of tokens to make a Vector3!\n");
182	+	painCave.severity = OPENMD_ERROR;
183	+	painCave.isFatal = 1;
184	+	simError();
185	+	}
186	+	return false;
187	+	}
188	+	static std::string getParamType() { return "OpenMD::Vector3d";}
189	+	};
190	+
191	+
192		class ParameterBase {
193		public:
194		ParameterBase() : keyword_(), optional_(false), defaultValue_(false), empty_(true) {}
#	Line 134 | Line 202 | class ParameterBase { (public)
202		bool empty() {return empty_;}
203		virtual bool setData(std::string) = 0;
204		virtual bool setData(int) = 0;
205	<	virtual bool setData(double) = 0;
205	>	virtual bool setData(unsigned long int) = 0;
206	>	virtual bool setData(RealType) = 0;
207	>	virtual bool setData(std::pair<int, int>) = 0;
208	>	virtual bool setData(OpenMD::Vector3d) = 0;
209		virtual std::string getParamType() = 0;
210		protected:
211	<	std::string keyword_;
211	>	std::string keyword_;
212		bool optional_;
213		bool defaultValue_;
214		bool empty_;
#	Line 147 | Line 218 | class Parameter : public ParameterBase{ (public)
218		class Parameter : public ParameterBase{
219		public:
220		typedef ParameterTraits<ParamType> ValueType;
221	<	void setDefaultValue(const ParamType& value) {data_ = value; defaultValue_ = true;}
221	>	void setDefaultValue(const ParamType& value) {data_ = value; defaultValue_ = true; empty_ = false;}
222		ParamType getData() { return data_;}
223
224		virtual bool setData(std::string sval) {
225		return internalSetData<std::string>(sval);
226		}
227	+
228		virtual bool setData(int ival) {
229		return internalSetData<int>(ival);
230		}
231	+
232	+	virtual bool setData(unsigned long int lival) {
233	+	return internalSetData<unsigned long int>(lival);
234	+	}
235
236	<	virtual bool setData(double dval) {
237	<	return internalSetData<double>(dval);
236	>	virtual bool setData(RealType dval) {
237	>	return internalSetData<RealType>(dval);
238		}
239	+
240	+	virtual bool setData(std::pair<int, int> pval) {
241	+	return internalSetData<std::pair<int, int> >(pval);
242	+	}
243	+	virtual bool setData(OpenMD::Vector3d pval) {
244	+	return internalSetData<OpenMD::Vector3d >(pval);
245	+	}
246
247		virtual std::string getParamType() { return ParameterTraits<ParamType>::getParamType();}
248		private:
#	Line 185 | Line 268 | TYPE get##NAME() { return NAME.getData();}
268		bool have##NAME() { return !NAME.empty();}  \
269		TYPE get##NAME() { return NAME.getData();}
270
271	+	#define DeclareAlterableParameter(NAME, TYPE)         \
272	+	private:                                                   \
273	+	Parameter<TYPE> NAME;                                     \
274	+	public:                                                      \
275	+	bool have##NAME() { return !NAME.empty();}  \
276	+	TYPE get##NAME() { return NAME.getData();}  \
277	+	bool set##NAME(TYPE s) { return NAME.setData(s);}  \
278
279
280	+
281		#define DefineParameter(NAME,KEYWORD)                              \
282		NAME.setKeyword(KEYWORD);                  \
283	<	parameters_.insert(std::make_pair(std::string(KEYWORD),  &NAME));
283	>	parameters_.insert(std::map<std::string, ParameterBase*>::value_type(std::string(KEYWORD), static_cast<ParameterBase*>(&NAME)));
284
285		#define DefineOptionalParameter(NAME,KEYWORD)                              \
286		NAME.setKeyword(KEYWORD); NAME.setOptional(true);                    \
287	<	parameters_.insert(std::make_pair(std::string(KEYWORD),  &NAME));
287	>	parameters_.insert(std::map<std::string, ParameterBase*>::value_type(std::string(KEYWORD), static_cast<ParameterBase*>(&NAME)));
288
289		#define DefineOptionalParameterWithDefaultValue(NAME,KEYWORD, DEFAULTVALUE)                              \
290		NAME.setKeyword(KEYWORD); NAME.setOptional(true); NAME.setDefaultValue(DEFAULTVALUE);                      \
291	<	parameters_.insert(std::make_pair(std::string(KEYWORD),  &NAME));
291	>	parameters_.insert(std::map<std::string, ParameterBase*>::value_type(std::string(KEYWORD), static_cast<ParameterBase*>(&NAME)));
292
293		#define CheckParameter(NAME, CONSTRAINT)                              \
294	<	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();} }
294	>	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();} }
295
296
297

Comparing trunk/src/utils/ParameterManager.hpp (property svn:keywords):
Revision 748 by chuckv, Wed Nov 16 21:37:45 2005 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

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