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/SelectionToken.hpp"
#include "selection/SelectionCompiler.hpp"
#include "selection/NameFinder.hpp"
#include "selection/DistanceFinder.hpp"
#include "selection/IndexFinder.hpp"
#include "utils/OOPSEBitSet.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 OOPSEBitSet
   */
  class SelectionEvaluator{
  public:

    SelectionEvaluator(SimInfo* info);


    bool loadScriptString(const std::string& script);
    bool loadScriptFile(const std::string& filename);
        
    OOPSEBitSet 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(OOPSEBitSet& bs);
    void predefine(const std::string& script);

    void instructionDispatchLoop(OOPSEBitSet& bs);

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

    OOPSEBitSet 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);

    double getCharge(Atom* atom);
        
    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:	770
Committed:	Fri Dec 2 15:38:03 2005 UTC (19 years, 11 months ago) by tim
File size:	6323 byte(s)
Log Message:	End of the Link --> List Return of the Oject-Oriented replace yacc/lex parser with antlr parser
#	Content
1	/*
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	#include <fstream>
49
50	#include "brains/SimInfo.hpp"
51	#include "selection/SelectionToken.hpp"
52	#include "selection/SelectionCompiler.hpp"
53	#include "selection/NameFinder.hpp"
54	#include "selection/DistanceFinder.hpp"
55	#include "selection/IndexFinder.hpp"
56	#include "utils/OOPSEBitSet.hpp"
57	#include "primitives/StuntDouble.hpp"
58	#include "utils/StringUtils.hpp"
59	namespace oopse {
60
61
62	/**
63	* @class SelectionEvaluator SelectionEvaluator.hpp "selection/SelectionEvaluator"
64	* @brief Evalute the tokens compiled by SelectionCompiler and return a OOPSEBitSet
65	*/
66	class SelectionEvaluator{
67	public:
68
69	SelectionEvaluator(SimInfo* info);
70
71
72	bool loadScriptString(const std::string& script);
73	bool loadScriptFile(const std::string& filename);
74
75	OOPSEBitSet evaluate();
76
77	/**
78	* Tests if the result from evaluation of script is dynamic.
79	*/
80	bool isDynamic() {
81	return isDynamic_;
82	}
83
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	if ((ichEnd = script.find('\r', ichBegin)) == std::string::npos &&
101	(ichEnd = script.find('\n', ichBegin)) == std::string::npos) {
102	ichEnd = script.size();
103	}
104	return script.substr(ichBegin, ichEnd);
105	}
106
107	private:
108
109	void clearState();
110
111	bool loadScript(const std::string& filename, const std::string& script);
112
113	bool loadScriptFileInternal(const std::string& filename);
114
115
116	void clearDefinitionsAndLoadPredefined();
117
118	void define();
119	void select(OOPSEBitSet& bs);
120	void predefine(const std::string& script);
121
122	void instructionDispatchLoop(OOPSEBitSet& bs);
123
124	void withinInstruction(const Token& instruction, OOPSEBitSet& bs);
125
126	OOPSEBitSet comparatorInstruction(const Token& instruction);
127	void compareProperty(StuntDouble* sd, OOPSEBitSet& bs, int property, int comparator, float comparisonValue);
128	OOPSEBitSet nameInstruction(const std::string& name);
129	OOPSEBitSet indexInstruction(const boost::any& value);
130	OOPSEBitSet expression(const std::vector<Token>& tokens, int pc);
131
132	OOPSEBitSet lookupValue(const std::string& variable);
133
134	void evalError(const std::string& message) {
135	std::cerr << "SelectionEvaulator Error: " << message << std::endl;
136	}
137
138	void unrecognizedCommand(const Token& token) {
139	evalError("unrecognized command:" + boost::any_cast<std::string>(token.value));
140	}
141
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
154	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	bool containDynamicToken(const std::vector<Token>& tokens);
164
165	double getCharge(Atom* atom);
166
167	SelectionCompiler compiler;
168
169	//const static int scriptLevelMax = 10;
170	//int scriptLevel;
171
172	//Context stack[scriptLevelMax];
173
174	std::string filename;
175	std::string script;
176	std::vector<int> linenumbers;
177	std::vector<int> lineIndices;
178	std::vector<std::vector<Token> > aatoken;
179	int pc; // program counter
180
181	bool error;
182	std::string errorMessage;
183
184	std::vector<Token> statement;
185	int statementLength;
186
187	SimInfo* info;
188	NameFinder nameFinder;
189	DistanceFinder distanceFinder;
190	IndexFinder indexFinder;
191	int nStuntDouble; //natoms + nrigidbodies
192
193	typedef std::map<std::string, boost::any > VariablesType;
194	VariablesType variables;
195
196	bool isDynamic_;
197	bool isLoaded_;
198
199	};
200
201	}
202	#endif