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root/group/trunk/OOPSE-3.0/src/selection/SelectionEvaluator.hpp
Revision: 2116
Committed: Fri Mar 11 15:00:20 2005 UTC (19 years, 4 months ago) by tim
File size: 6654 byte(s)
Log Message:
clean up SimInfo; modify the images of SelectionExpression.html

File Contents

# User Rev Content
1 tim 1961 /*
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 1985 #include <fstream>
49 tim 1961
50     #include "brains/SimInfo.hpp"
51     #include "selection/Token.hpp"
52     #include "selection/SelectionCompiler.hpp"
53 tim 1967 #include "selection/NameFinder.hpp"
54 tim 1979 #include "selection/DistanceFinder.hpp"
55 tim 2097 #include "selection/IndexFinder.hpp"
56 tim 1961 #include "utils/BitSet.hpp"
57 tim 1967 #include "primitives/StuntDouble.hpp"
58 tim 1979 #include "utils/StringUtils.hpp"
59 tim 1961 namespace oopse {
60    
61 tim 1967
62 tim 1961 /**
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 1972 SelectionEvaluator(SimInfo* info);
70 tim 1961
71 tim 1962
72 tim 1972 bool loadScriptString(const std::string& script);
73     bool loadScriptFile(const std::string& filename);
74    
75 tim 1961 BitSet evaluate();
76    
77     /**
78 tim 1972 * Tests if the result from evaluation of script is dynamic.
79 tim 1961 */
80 tim 1972 bool isDynamic() {
81     return isDynamic_;
82     }
83 tim 1962
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 1965 if ((ichEnd = script.find('\r', ichBegin)) == std::string::npos &&
101     (ichEnd = script.find('\n', ichBegin)) == std::string::npos) {
102 tim 1962 ichEnd = script.size();
103     }
104     return script.substr(ichBegin, ichEnd);
105     }
106    
107 tim 1961 private:
108    
109 tim 1962 void clearState();
110    
111     bool loadScript(const std::string& filename, const std::string& script);
112 tim 1972
113 tim 1962 bool loadScriptFileInternal(const std::string& filename);
114    
115 tim 1972
116 tim 1962 void clearDefinitionsAndLoadPredefined();
117    
118 tim 1961 void define();
119 tim 1972 void select(BitSet& bs);
120 tim 1967 void predefine(const std::string& script);
121 tim 1961
122 tim 1972 void instructionDispatchLoop(BitSet& bs);
123 tim 1962
124 tim 1967 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 1979 BitSet indexInstruction(const boost::any& value);
130 tim 1967 BitSet expression(const std::vector<Token>& tokens, int pc);
131 tim 1962
132 tim 1967 BitSet lookupValue(const std::string& variable);
133    
134 tim 1972 void evalError(const std::string& message) {
135     std::cerr << "SelectionEvaulator Error: " << message << std::endl;
136     }
137 tim 1966
138     void unrecognizedCommand(const Token& token) {
139 tim 1967 evalError("unrecognized command:" + boost::any_cast<std::string>(token.value));
140 tim 1966 }
141 tim 1967
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 1972
154 tim 1979 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 1972 bool containDynamicToken(const std::vector<Token>& tokens);
164 tim 2116
165     double getCharge(Atom* atom);
166 tim 1972
167 tim 1962 SelectionCompiler compiler;
168    
169 tim 1972 //const static int scriptLevelMax = 10;
170     //int scriptLevel;
171 tim 1962
172 tim 1972 //Context stack[scriptLevelMax];
173 tim 1962
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 tim 1965 bool error;
182 tim 1962 std::string errorMessage;
183    
184     std::vector<Token> statement;
185     int statementLength;
186    
187 tim 1965 SimInfo* info;
188 tim 1979 NameFinder nameFinder;
189     DistanceFinder distanceFinder;
190 tim 2097 IndexFinder indexFinder;
191 tim 1967 int nStuntDouble; //natoms + nrigidbodies
192 tim 1972
193 tim 2034 typedef std::map<std::string, boost::any > VariablesType;
194     VariablesType variables;
195    
196 tim 1972 bool isDynamic_;
197     bool isLoaded_;
198    
199 tim 1961 };
200    
201     }
202     #endif