src/selection/SelectionEvaluator.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.
 */

#ifndef SELECTION_SELECTIONEVALUATOR_HPP
#define SELECTION_SELECTIONEVALUATOR_HPP

#include <map>
#include <string>
#include <vector>
#include <fstream>

#include "brains/SimInfo.hpp"
#include "selection/Token.hpp"
#include "selection/SelectionCompiler.hpp"
#include "selection/NameFinder.hpp"
#include "selection/DistanceFinder.hpp"
#include "selection/IndexFinder.hpp"
#include "utils/BitSet.hpp"
#include "primitives/StuntDouble.hpp"
#include "utils/StringUtils.hpp"
namespace oopse {


/**
 * @class SelectionEvaluator SelectionEvaluator.hpp "selection/SelectionEvaluator"
 * @brief Evalute the tokens compiled by SelectionCompiler and return a BitSet
 */
class SelectionEvaluator{
    public:

        SelectionEvaluator(SimInfo* info);


        bool loadScriptString(const std::string& script);
        bool loadScriptFile(const std::string& filename);
        
        BitSet evaluate();
        
        /**
         * Tests if the result from evaluation of script is dynamic.
         */         
        bool isDynamic() {
            return isDynamic_;
        }

        bool hadRuntimeError() const{
            return error;
        }

        std::string getErrorMessage() const {
            return errorMessage;
        }


        int getLinenumber() {
            return linenumbers[pc];
        }

        std::string getLine() {
            int ichBegin = lineIndices[pc];
            int ichEnd;
            if ((ichEnd = script.find('\r', ichBegin)) == std::string::npos &&
                (ichEnd = script.find('\n', ichBegin)) == std::string::npos) {
                ichEnd = script.size();
            }            
            return script.substr(ichBegin, ichEnd);
        }
  
    private:

        void clearState();
        
        bool loadScript(const std::string& filename, const std::string& script); 

        bool loadScriptFileInternal(const std::string& filename);


        void clearDefinitionsAndLoadPredefined();
         
        void define();
        void select(BitSet& bs);
        void predefine(const std::string& script);

        void instructionDispatchLoop(BitSet& bs);

        void withinInstruction(const Token& instruction, BitSet& bs);
        
        BitSet comparatorInstruction(const Token& instruction); 
        void compareProperty(StuntDouble* sd, BitSet& bs, int property, int comparator, float comparisonValue);
        BitSet nameInstruction(const std::string& name);
        BitSet indexInstruction(const boost::any& value);
        BitSet expression(const std::vector<Token>& tokens, int pc);

        BitSet lookupValue(const std::string& variable);
        
        void evalError(const std::string& message) {
            std::cerr << "SelectionEvaulator Error: " << message <<  std::endl; 
        }

        void unrecognizedCommand(const Token& token) {
            evalError("unrecognized command:" + boost::any_cast<std::string>(token.value));
        }        

        void unrecognizedExpression() {
            evalError("unrecognized expression");
        }

        void unrecognizedAtomProperty(int property){
            evalError("unrecognized atom property");
        }

        void unrecognizedIdentifier(const std::string& identifier) {
            evalError("unrecognized identifier:" + identifier);
        }    

        void invalidIndexRange(std::pair<int, int> range) {
            evalError("invalid index range: [" + toString(range.first) + ", " + toString(range.second) + ")");
        }

        void invalidIndex(int index) {
            evalError("invalid index : " + toString(index) );
        }

        
        bool containDynamicToken(const std::vector<Token>& tokens);
        
        SelectionCompiler compiler;

        //const static int scriptLevelMax = 10;
        //int scriptLevel;

        //Context stack[scriptLevelMax];

        std::string filename;
        std::string script;
        std::vector<int> linenumbers;
        std::vector<int> lineIndices;
        std::vector<std::vector<Token> > aatoken;
        int pc; // program counter

        bool error;
        std::string errorMessage;

        std::vector<Token> statement;
        int statementLength;

        SimInfo* info;
        NameFinder nameFinder;
        DistanceFinder distanceFinder;
        IndexFinder indexFinder;
        int nStuntDouble;   //natoms + nrigidbodies

        typedef std::map<std::string, boost::any > VariablesType;
        VariablesType variables;

        bool isDynamic_;
        bool isLoaded_;
        
};

}
#endif
Revision:	413
Committed:	Wed Mar 9 17:30:29 2005 UTC (20 years, 2 months ago) by tim
Original Path:	*trunk/src/selection/SelectionEvaluator.hpp*
File size:	6615 byte(s)
Log Message:	adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;
#	User	Rev	Content
1	tim	277	/*
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			#ifndef SELECTION_SELECTIONEVALUATOR_HPP
43			#define SELECTION_SELECTIONEVALUATOR_HPP
44
45			#include <map>
46			#include <string>
47			#include <vector>
48	chrisfen	301	#include <fstream>
49	tim	277
50			#include "brains/SimInfo.hpp"
51			#include "selection/Token.hpp"
52			#include "selection/SelectionCompiler.hpp"
53	tim	283	#include "selection/NameFinder.hpp"
54	tim	295	#include "selection/DistanceFinder.hpp"
55	tim	413	#include "selection/IndexFinder.hpp"
56	tim	277	#include "utils/BitSet.hpp"
57	tim	283	#include "primitives/StuntDouble.hpp"
58	tim	295	#include "utils/StringUtils.hpp"
59	tim	277	namespace oopse {
60
61	tim	283
62	tim	277	/**
63			* @class SelectionEvaluator SelectionEvaluator.hpp "selection/SelectionEvaluator"
64			* @brief Evalute the tokens compiled by SelectionCompiler and return a BitSet
65			*/
66			class SelectionEvaluator{
67			public:
68
69	tim	288	SelectionEvaluator(SimInfo* info);
70	tim	277
71	tim	278
72	tim	288	bool loadScriptString(const std::string& script);
73			bool loadScriptFile(const std::string& filename);
74
75	tim	277	BitSet evaluate();
76
77			/**
78	tim	288	* Tests if the result from evaluation of script is dynamic.
79	tim	277	*/
80	tim	288	bool isDynamic() {
81			return isDynamic_;
82			}
83	tim	278
84			bool hadRuntimeError() const{
85			return error;
86			}
87
88			std::string getErrorMessage() const {
89			return errorMessage;
90			}
91
92
93			int getLinenumber() {
94			return linenumbers[pc];
95			}
96
97			std::string getLine() {
98			int ichBegin = lineIndices[pc];
99			int ichEnd;
100	tim	281	if ((ichEnd = script.find('\r', ichBegin)) == std::string::npos &&
101			(ichEnd = script.find('\n', ichBegin)) == std::string::npos) {
102	tim	278	ichEnd = script.size();
103			}
104			return script.substr(ichBegin, ichEnd);
105			}
106
107	tim	277	private:
108
109	tim	278	void clearState();
110
111			bool loadScript(const std::string& filename, const std::string& script);
112	tim	288
113	tim	278	bool loadScriptFileInternal(const std::string& filename);
114
115	tim	288
116	tim	278	void clearDefinitionsAndLoadPredefined();
117
118	tim	277	void define();
119	tim	288	void select(BitSet& bs);
120	tim	283	void predefine(const std::string& script);
121	tim	277
122	tim	288	void instructionDispatchLoop(BitSet& bs);
123	tim	278
124	tim	283	void withinInstruction(const Token& instruction, BitSet& bs);
125
126			BitSet comparatorInstruction(const Token& instruction);
127			void compareProperty(StuntDouble* sd, BitSet& bs, int property, int comparator, float comparisonValue);
128			BitSet nameInstruction(const std::string& name);
129	tim	295	BitSet indexInstruction(const boost::any& value);
130	tim	283	BitSet expression(const std::vector<Token>& tokens, int pc);
131	tim	278
132	tim	283	BitSet lookupValue(const std::string& variable);
133
134	tim	288	void evalError(const std::string& message) {
135			std::cerr << "SelectionEvaulator Error: " << message << std::endl;
136			}
137	tim	282
138			void unrecognizedCommand(const Token& token) {
139	tim	283	evalError("unrecognized command:" + boost::any_cast<std::string>(token.value));
140	tim	282	}
141	tim	283
142			void unrecognizedExpression() {
143			evalError("unrecognized expression");
144			}
145
146			void unrecognizedAtomProperty(int property){
147			evalError("unrecognized atom property");
148			}
149
150			void unrecognizedIdentifier(const std::string& identifier) {
151			evalError("unrecognized identifier:" + identifier);
152			}
153	tim	288
154	tim	295	void invalidIndexRange(std::pair<int, int> range) {
155			evalError("invalid index range: [" + toString(range.first) + ", " + toString(range.second) + ")");
156			}
157
158			void invalidIndex(int index) {
159			evalError("invalid index : " + toString(index) );
160			}
161
162
163	tim	288	bool containDynamicToken(const std::vector<Token>& tokens);
164
165	tim	278	SelectionCompiler compiler;
166
167	tim	288	//const static int scriptLevelMax = 10;
168			//int scriptLevel;
169	tim	278
170	tim	288	//Context stack[scriptLevelMax];
171	tim	278
172			std::string filename;
173			std::string script;
174			std::vector<int> linenumbers;
175			std::vector<int> lineIndices;
176			std::vector<std::vector<Token> > aatoken;
177			int pc; // program counter
178
179	tim	281	bool error;
180	tim	278	std::string errorMessage;
181
182			std::vector<Token> statement;
183			int statementLength;
184
185	tim	281	SimInfo* info;
186	tim	295	NameFinder nameFinder;
187			DistanceFinder distanceFinder;
188	tim	413	IndexFinder indexFinder;
189	tim	283	int nStuntDouble; //natoms + nrigidbodies
190	tim	288
191	tim	350	typedef std::map<std::string, boost::any > VariablesType;
192			VariablesType variables;
193
194	tim	288	bool isDynamic_;
195			bool isLoaded_;
196
197	tim	277	};
198
199			}
200			#endif