src/selection/SelectionCompiler.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. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 2. 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.
 *
 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
 * research, please cite the appropriate papers when you publish your
 * work.  Good starting points are:
 *                                                                      
 * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
 * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
 * [4]  Vardeman & Gezelter, in progress (2009).                        
 */

#ifndef SELECTION_SELECTIONCOMPILER_HPP
#define SELECTION_SELECTIONCOMPILER_HPP
#include <iostream>
#include <string>
#include <vector>

#include "selection/SelectionToken.hpp"
#include "selection/TokenMap.hpp"
#include "brains/SimInfo.hpp"

namespace OpenMD {


  /**
   * @class SelectionCompiler SelectionCompiler.hpp "selection/SelectionCompiler.hpp"
   * @brief compile a selection script to tokens
   * @todo document
   * <pre>

   expression       :: = clauseOr

   clauseOr         ::= clauseAnd {OR clauseAnd}*

   clauseAnd        ::= clauseNot {AND clauseNot}*

   clauseNot        ::= NOT clauseNot | clausePrimitive

   clausePrimitive  ::= clauseComparator |
   clauseWithin |
   clauseName |
   none | all |
   ( clauseOr )

   clauseComparator ::= atomproperty comparatorop integer

   clauseWithin     ::= WITHIN ( clauseDistance , expression )

   clauseDistance   ::= integer | decimal
        
   clauseName::= *|string{.string{.string}}


   * </pre>
   */
  class SelectionCompiler{
  public:
    bool compile(const std::string& filename, const std::string& script );
        

    std::vector<int> getLineNumbers() {
      return lineNumbers;
    }

    std::vector<int> getLineIndices() {
      return lineIndices;
    }

    std::vector<std::vector<Token> > getAatokenCompiled() {
      return aatokenCompiled;
    }

    std::string getErrorMessage() {
      std::string strError = errorMessage;
      strError += " : " + errorLine + "\n";

      if (!filename.empty()) {
        strError += filename;
      }

      return strError;
    }

        
  private:

    bool internalCompile();


    bool lookingAtLeadingWhitespace();
    //bool lookingAtComment();
    bool lookingAtEndOfLine();
    bool lookingAtEndOfStatement();
    bool lookingAtString();
    bool lookingAtDecimal(bool allowNegative);
    bool lookingAtInteger(bool allowNegative);
    bool lookingAtLookupToken();
    bool lookingAtSpecialString();

    std::string getUnescapedStringLiteral();
    int getHexitValue(char ch);        

    bool compileCommand(const std::vector<Token>& ltoken);
    bool compileExpression();        
    bool compileExpression(int itoken);        
        
    bool clauseOr();
    bool clauseAnd();
    bool clauseNot();
    bool clausePrimitive();
    bool clauseWithin();
    bool clauseComparator();
    bool clauseChemObjName();        
    bool clauseIndex();
    Token tokenNext();
    boost::any valuePeek();
    int tokPeek();

    bool addTokenToPostfix(const Token& token);
    bool isNameValid(const std::string& name);

    bool compileError(const std::string& errorMsg) {

      sprintf( painCave.errMsg,
               "SelectionCompiler Error: %s\n", errorMsg.c_str());
      painCave.severity = OPENMD_ERROR;
      painCave.isFatal = 1;
      simError();

      error = true;
      this->errorMessage = errorMsg;
      return false;
    }
        
    bool commandExpected() {
      return compileError("command expected");
    }

    bool invalidExpressionToken(const std::string& ident) {
      return compileError("invalid expression token:" + ident);
    }

    bool unrecognizedToken() {
      return compileError("unrecognized token");
    }

    bool badArgumentCount() {
      return compileError("bad argument count");
    }

    bool endOfExpressionExpected() {
      return compileError("end of expression expected");
    }

    bool leftParenthesisExpected() {
      return compileError("left parenthesis expected");
    }

    bool rightParenthesisExpected() {
      return compileError("right parenthesis expected");
    }

    bool commaExpected() {
      return compileError("comma expected");
    }

    bool unrecognizedExpressionToken() {
      boost::any tmp = valuePeek();
      std::string tokenStr;

      try {
        tokenStr = boost::any_cast<std::string>(tmp);                
      } catch(const boost::bad_any_cast &) {
        return compileError("any_cast error");
      }
            
      return compileError("unrecognized expression token:" + tokenStr);
    }

    bool comparisonOperatorExpected() {
      return compileError("comparison operator expected");
    }

    bool numberExpected() {
      return compileError("number expected");
    }        
        
    bool numberOrKeywordExpected() {
      return compileError("number or keyword expected");
    }        
        
    std::string filename;
    std::string script;

    std::vector<int> lineNumbers;
    std::vector<int> lineIndices;
    std::vector<std::vector<Token> >aatokenCompiled;

    bool error;
    std::string errorMessage;
    std::string errorLine;

    int cchScript;
    short lineCurrent;

    int ichToken;
    int cchToken;
    std::vector<Token> atokenCommand;

    int ichCurrentCommand;

    std::vector<Token> ltokenPostfix;
    std::vector<Token> atokenInfix;
    int itokenInfix;

    //std::vector<Token> compiledTokens_;
  };

}
#endif

Revision:	1390
Committed:	Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
File size:	7006 byte(s)
Log Message:	Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4)
#	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. Redistributions of source code must retain the above copyright
10	* notice, this list of conditions and the following disclaimer.
11	*
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.
16	*
17	* This software is provided "AS IS," without a warranty of any
18	* kind. All express or implied conditions, representations and
19	* warranties, including any implied warranty of merchantability,
20	* fitness for a particular purpose or non-infringement, are hereby
21	* excluded. The University of Notre Dame and its licensors shall not
22	* be liable for any damages suffered by licensee as a result of
23	* using, modifying or distributing the software or its
24	* derivatives. In no event will the University of Notre Dame or its
25	* licensors be liable for any lost revenue, profit or data, or for
26	* direct, indirect, special, consequential, incidental or punitive
27	* damages, however caused and regardless of the theory of liability,
28	* arising out of the use of or inability to use software, even if the
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
42	#ifndef SELECTION_SELECTIONCOMPILER_HPP
43	#define SELECTION_SELECTIONCOMPILER_HPP
44	#include <iostream>
45	#include <string>
46	#include <vector>
47
48	#include "selection/SelectionToken.hpp"
49	#include "selection/TokenMap.hpp"
50	#include "brains/SimInfo.hpp"
51
52	namespace OpenMD {
53
54
55	/**
56	* @class SelectionCompiler SelectionCompiler.hpp "selection/SelectionCompiler.hpp"
57	* @brief compile a selection script to tokens
58	* @todo document
59	* <pre>
60
61	expression :: = clauseOr
62
63	clauseOr ::= clauseAnd {OR clauseAnd}*
64
65	clauseAnd ::= clauseNot {AND clauseNot}*
66
67	clauseNot ::= NOT clauseNot \| clausePrimitive
68
69	clausePrimitive ::= clauseComparator \|
70	clauseWithin \|
71	clauseName \|
72	none \| all \|
73	( clauseOr )
74
75	clauseComparator ::= atomproperty comparatorop integer
76
77	clauseWithin ::= WITHIN ( clauseDistance , expression )
78
79	clauseDistance ::= integer \| decimal
80
81	clauseName::= *\|string{.string{.string}}
82
83
84	* </pre>
85	*/
86	class SelectionCompiler{
87	public:
88	bool compile(const std::string& filename, const std::string& script );
89
90
91	std::vector<int> getLineNumbers() {
92	return lineNumbers;
93	}
94
95	std::vector<int> getLineIndices() {
96	return lineIndices;
97	}
98
99	std::vector<std::vector<Token> > getAatokenCompiled() {
100	return aatokenCompiled;
101	}
102
103	std::string getErrorMessage() {
104	std::string strError = errorMessage;
105	strError += " : " + errorLine + "\n";
106
107	if (!filename.empty()) {
108	strError += filename;
109	}
110
111	return strError;
112	}
113
114
115	private:
116
117	bool internalCompile();
118
119
120	bool lookingAtLeadingWhitespace();
121	//bool lookingAtComment();
122	bool lookingAtEndOfLine();
123	bool lookingAtEndOfStatement();
124	bool lookingAtString();
125	bool lookingAtDecimal(bool allowNegative);
126	bool lookingAtInteger(bool allowNegative);
127	bool lookingAtLookupToken();
128	bool lookingAtSpecialString();
129
130	std::string getUnescapedStringLiteral();
131	int getHexitValue(char ch);
132
133	bool compileCommand(const std::vector<Token>& ltoken);
134	bool compileExpression();
135	bool compileExpression(int itoken);
136
137	bool clauseOr();
138	bool clauseAnd();
139	bool clauseNot();
140	bool clausePrimitive();
141	bool clauseWithin();
142	bool clauseComparator();
143	bool clauseChemObjName();
144	bool clauseIndex();
145	Token tokenNext();
146	boost::any valuePeek();
147	int tokPeek();
148
149	bool addTokenToPostfix(const Token& token);
150	bool isNameValid(const std::string& name);
151
152	bool compileError(const std::string& errorMsg) {
153
154	sprintf( painCave.errMsg,
155	"SelectionCompiler Error: %s\n", errorMsg.c_str());
156	painCave.severity = OPENMD_ERROR;
157	painCave.isFatal = 1;
158	simError();
159
160	error = true;
161	this->errorMessage = errorMsg;
162	return false;
163	}
164
165	bool commandExpected() {
166	return compileError("command expected");
167	}
168
169	bool invalidExpressionToken(const std::string& ident) {
170	return compileError("invalid expression token:" + ident);
171	}
172
173	bool unrecognizedToken() {
174	return compileError("unrecognized token");
175	}
176
177	bool badArgumentCount() {
178	return compileError("bad argument count");
179	}
180
181	bool endOfExpressionExpected() {
182	return compileError("end of expression expected");
183	}
184
185	bool leftParenthesisExpected() {
186	return compileError("left parenthesis expected");
187	}
188
189	bool rightParenthesisExpected() {
190	return compileError("right parenthesis expected");
191	}
192
193	bool commaExpected() {
194	return compileError("comma expected");
195	}
196
197	bool unrecognizedExpressionToken() {
198	boost::any tmp = valuePeek();
199	std::string tokenStr;
200
201	try {
202	tokenStr = boost::any_cast<std::string>(tmp);
203	} catch(const boost::bad_any_cast &) {
204	return compileError("any_cast error");
205	}
206
207	return compileError("unrecognized expression token:" + tokenStr);
208	}
209
210	bool comparisonOperatorExpected() {
211	return compileError("comparison operator expected");
212	}
213
214	bool numberExpected() {
215	return compileError("number expected");
216	}
217
218	bool numberOrKeywordExpected() {
219	return compileError("number or keyword expected");
220	}
221
222	std::string filename;
223	std::string script;
224
225	std::vector<int> lineNumbers;
226	std::vector<int> lineIndices;
227	std::vector<std::vector<Token> >aatokenCompiled;
228
229	bool error;
230	std::string errorMessage;
231	std::string errorLine;
232
233	int cchScript;
234	short lineCurrent;
235
236	int ichToken;
237	int cchToken;
238	std::vector<Token> atokenCommand;
239
240	int ichCurrentCommand;
241
242	std::vector<Token> ltokenPostfix;
243	std::vector<Token> atokenInfix;
244	int itokenInfix;
245
246	//std::vector<Token> compiledTokens_;
247	};
248
249	}
250	#endif
251