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root/OpenMD/trunk/src/selection/SelectionCompiler.hpp

Comparing trunk/src/selection/SelectionCompiler.hpp (file contents):
Revision 452 by tim, Tue Apr 5 23:09:48 2005 UTC vs.
Revision 2069 by gezelter, Thu Mar 5 16:30:23 2015 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 37 | Line 28
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, 234107 (2008).
39	+	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	+	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43		#ifndef SELECTION_SELECTIONCOMPILER_HPP
#	Line 45 | Line 46
46		#include <string>
47		#include <vector>
48
49	<	#include "selection/Token.hpp"
49	>	#include "selection/SelectionToken.hpp"
50		#include "selection/TokenMap.hpp"
51	<	namespace oopse {
51	>	#include "brains/SimInfo.hpp"
52
53	+	namespace OpenMD {
54
53	–	/**
54	–	* @class SelectionCompiler SelectionCompiler.hpp "selection/SelectionCompiler.hpp"
55	–	* @brief compile a selection script to tokens
56	–	* @todo document
57	–	* <pre>
55
56	<	expression       :: = clauseOr
56	>	/**
57	>	* @class SelectionCompiler SelectionCompiler.hpp "selection/SelectionCompiler.hpp"
58	>	* @brief compile a selection script to tokens
59	>	* @todo document
60	>	* <pre>
61
62	<	clauseOr         ::= clauseAnd {OR clauseAnd}*
62	>	expression       :: = clauseOr
63
64	<	clauseAnd        ::= clauseNot {AND clauseNot}*
64	>	clauseOr         ::= clauseAnd {OR clauseAnd}*
65
66	<	clauseNot        ::= NOT clauseNot | clausePrimitive
66	>	clauseAnd        ::= clauseNot {AND clauseNot}*
67
68	<	clausePrimitive  ::= clauseComparator |
68	<	clauseWithin |
69	<	clauseName |
70	<	none | all |
71	<	( clauseOr )
68	>	clauseNot        ::= NOT clauseNot | clausePrimitive
69
70	<	clauseComparator ::= atomproperty comparatorop integer
70	>	clausePrimitive  ::= clauseComparator |
71	>	clauseWithin |
72	>	clauseName |
73	>	none | all |
74	>	( clauseOr )
75
76	<	clauseWithin     ::= WITHIN ( clauseDistance , expression )
76	>	clauseComparator ::= atomproperty comparatorop integer
77
78	<	clauseDistance   ::= integer | decimal
78	>	clauseWithin     ::= WITHIN ( clauseDistance , expression )
79	>
80	>	clauseDistance   ::= integer | decimal
81
82	<	clauseName::= *|string{.string{.string}}
82	>	clauseName::= *|string{.string{.string}}
83
84
85	<	* </pre>
86	<	*/
87	<	class SelectionCompiler{
88	<	public:
89	<	bool compile(const std::string& filename, const std::string& script );
85	>	* </pre>
86	>	*/
87	>	class SelectionCompiler{
88	>	public:
89	>	bool compile(const std::string& filename, const std::string& script );
90
91
92	<	std::vector<int> getLineNumbers() {
93	<	return lineNumbers;
94	<	}
92	>	std::vector<int> getLineNumbers() {
93	>	return lineNumbers;
94	>	}
95
96	<	std::vector<int> getLineIndices() {
97	<	return lineIndices;
98	<	}
96	>	std::vector<int> getLineIndices() {
97	>	return lineIndices;
98	>	}
99
100	<	std::vector<std::vector<Token> > getAatokenCompiled() {
101	<	return aatokenCompiled;
102	<	}
100	>	std::vector<std::vector<Token> > getAatokenCompiled() {
101	>	return aatokenCompiled;
102	>	}
103
104	<	std::string getErrorMessage() {
105	<	std::string strError = errorMessage;
106	<	strError += " : " + errorLine + "\n";
104	>	std::string getErrorMessage() {
105	>	std::string strError = errorMessage;
106	>	strError += " : " + errorLine + "\n";
107
108	<	if (!filename.empty()) {
109	<	strError += filename;
110	<	}
108	>	if (!filename.empty()) {
109	>	strError += filename;
110	>	}
111
112	<	return strError;
113	<	}
112	>	return strError;
113	>	}
114
115
116	<	private:
116	>	private:
117
118	<	bool internalCompile();
118	>	bool internalCompile();
119
120
121	<	bool lookingAtLeadingWhitespace();
122	<	//bool lookingAtComment();
123	<	bool lookingAtEndOfLine();
124	<	bool lookingAtEndOfStatement();
125	<	bool lookingAtString();
126	<	bool lookingAtDecimal(bool allowNegative);
127	<	bool lookingAtInteger(bool allowNegative);
128	<	bool lookingAtLookupToken();
129	<	bool lookingAtSpecialString();
121	>	bool lookingAtLeadingWhitespace();
122	>	//bool lookingAtComment();
123	>	bool lookingAtEndOfLine();
124	>	bool lookingAtEndOfStatement();
125	>	bool lookingAtString();
126	>	bool lookingAtDecimal(bool allowNegative);
127	>	bool lookingAtInteger(bool allowNegative);
128	>	bool lookingAtLookupToken();
129	>	bool lookingAtSpecialString();
130
131	<	std::string getUnescapedStringLiteral();
132	<	int getHexitValue(char ch);
131	>	std::string getUnescapedStringLiteral();
132	>	int getHexitValue(char ch);
133
134	<	bool compileCommand(const std::vector<Token>& ltoken);
135	<	bool compileExpression();
136	<	bool compileExpression(int itoken);
134	>	bool compileCommand(const std::vector<Token>& ltoken);
135	>	bool compileExpression();
136	>	bool compileExpression(int itoken);
137
138	<	bool clauseOr();
139	<	bool clauseAnd();
140	<	bool clauseNot();
141	<	bool clausePrimitive();
142	<	bool clauseWithin();
143	<	bool clauseComparator();
144	<	bool clauseChemObjName();
145	<	bool clauseIndex();
146	<	Token tokenNext();
147	<	boost::any valuePeek();
148	<	int tokPeek();
138	>	bool clauseOr();
139	>	bool clauseAnd();
140	>	bool clauseNot();
141	>	bool clausePrimitive();
142	>	bool clauseWithin();
143	>	bool clauseComparator();
144	>	bool clauseChemObjName();
145	>	bool clauseIndex();
146	>	Token tokenNext();
147	>	boost::any valuePeek();
148	>	int tokPeek();
149
150	<	bool addTokenToPostfix(const Token& token);
151	<	bool isNameValid(const std::string& name);
150	>	bool addTokenToPostfix(const Token& token);
151	>	bool isNameValid(const std::string& name);
152
153	<	bool compileError(const std::string& errorMessage) {
154	<	std::cerr << "SelectionCompiler Error: " << errorMessage << std::endl;
155	<	error = true;
156	<	this->errorMessage = errorMessage;
157	<	return false;
158	<	}
153	>	bool compileError(const std::string& errorMsg) {
154	>
155	>	sprintf( painCave.errMsg,
156	>	"SelectionCompiler Error: %s\n", errorMsg.c_str());
157	>	painCave.severity = OPENMD_ERROR;
158	>	painCave.isFatal = 1;
159	>	simError();
160	>
161	>	error = true;
162	>	this->errorMessage = errorMsg;
163	>	return false;
164	>	}
165
166	<	bool commandExpected() {
167	<	return compileError("command expected");
168	<	}
166	>	bool commandExpected() {
167	>	return compileError("command expected");
168	>	}
169
170	<	bool invalidExpressionToken(const std::string& ident) {
171	<	return compileError("invalid expression token:" + ident);
172	<	}
170	>	bool invalidExpressionToken(const std::string& ident) {
171	>	return compileError("invalid expression token:" + ident);
172	>	}
173
174	<	bool unrecognizedToken() {
175	<	return compileError("unrecognized token");
176	<	}
174	>	bool unrecognizedToken() {
175	>	return compileError("unrecognized token");
176	>	}
177
178	<	bool badArgumentCount() {
179	<	return compileError("bad argument count");
180	<	}
178	>	bool badArgumentCount() {
179	>	return compileError("bad argument count");
180	>	}
181
182	<	bool endOfExpressionExpected() {
183	<	return compileError("end of expression expected");
184	<	}
182	>	bool endOfExpressionExpected() {
183	>	return compileError("end of expression expected");
184	>	}
185
186	<	bool leftParenthesisExpected() {
187	<	return compileError("left parenthesis expected");
188	<	}
186	>	bool leftParenthesisExpected() {
187	>	return compileError("left parenthesis expected");
188	>	}
189
190	<	bool rightParenthesisExpected() {
191	<	return compileError("right parenthesis expected");
192	<	}
190	>	bool rightParenthesisExpected() {
191	>	return compileError("right parenthesis expected");
192	>	}
193
194	<	bool commaExpected() {
195	<	return compileError("comma expected");
196	<	}
194	>	bool commaExpected() {
195	>	return compileError("comma expected");
196	>	}
197
198	<	bool unrecognizedExpressionToken() {
199	<	boost::any tmp = valuePeek();
200	<	std::string tokenStr;
198	>	bool unrecognizedExpressionToken() {
199	>	boost::any tmp = valuePeek();
200	>	std::string tokenStr;
201
202	<	try {
203	<	tokenStr = boost::any_cast<std::string>(tmp);
204	<	} catch(const boost::bad_any_cast &) {
205	<	return compileError("any_cast error");
206	<	}
202	>	try {
203	>	tokenStr = boost::any_cast<std::string>(tmp);
204	>	} catch(const boost::bad_any_cast &) {
205	>	return compileError("any_cast error");
206	>	}
207
208	<	return compileError("unrecognized expression token:" + tokenStr);
209	<	}
208	>	return compileError("unrecognized expression token:" + tokenStr);
209	>	}
210
211	<	bool comparisonOperatorExpected() {
212	<	return compileError("comparison operator expected");
213	<	}
211	>	bool comparisonOperatorExpected() {
212	>	return compileError("comparison operator expected");
213	>	}
214
215	<	bool numberExpected() {
216	<	return compileError("number expected");
217	<	}
215	>	bool numberExpected() {
216	>	return compileError("number expected");
217	>	}
218
219	<	bool numberOrKeywordExpected() {
220	<	return compileError("number or keyword expected");
221	<	}
219	>	bool numberOrKeywordExpected() {
220	>	return compileError("number or keyword expected");
221	>	}
222
223	<	std::string filename;
224	<	std::string script;
223	>	std::string filename;
224	>	std::string script;
225
226	<	std::vector<int> lineNumbers;
227	<	std::vector<int> lineIndices;
228	<	std::vector<std::vector<Token> >aatokenCompiled;
226	>	std::vector<int> lineNumbers;
227	>	std::vector<int> lineIndices;
228	>	std::vector<std::vector<Token> >aatokenCompiled;
229
230	<	bool error;
231	<	std::string errorMessage;
232	<	std::string errorLine;
230	>	bool error;
231	>	std::string errorMessage;
232	>	std::string errorLine;
233
234	<	int cchScript;
235	<	short lineCurrent;
234	>	int cchScript;
235	>	short lineCurrent;
236
237	<	int ichToken;
238	<	int cchToken;
239	<	std::vector<Token> atokenCommand;
237	>	int ichToken;
238	>	int cchToken;
239	>	std::vector<Token> atokenCommand;
240
241	<	int ichCurrentCommand;
241	>	int ichCurrentCommand;
242
243	<	std::vector<Token> ltokenPostfix;
244	<	std::vector<Token> atokenInfix;
245	<	int itokenInfix;
243	>	std::vector<Token> ltokenPostfix;
244	>	std::vector<Token> atokenInfix;
245	>	std::size_t itokenInfix;
246
247	<	//std::vector<Token> compiledTokens_;
248	<	};
247	>	//std::vector<Token> compiledTokens_;
248	>	};
249
250		}
251		#endif

Comparing trunk/src/selection/SelectionCompiler.hpp (property svn:keywords):
Revision 452 by tim, Tue Apr 5 23:09:48 2005 UTC vs.
Revision 2069 by gezelter, Thu Mar 5 16:30:23 2015 UTC

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