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. 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_SELECTIONCOMPILER_HPP
#define SELECTION_SELECTIONCOMPILER_HPP

#include <vector>
namespace oopse {


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

    expression       :: = clauseOr

    clauseOr         ::= clauseAnd {OR clauseAnd}*

    clauseAnd        ::= clauseNot {AND clauseNot}*

    clauseNot        ::= NOT clauseNot | clausePrimitive

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

    clauseComparator ::= atomproperty comparatorop integer

    clauseWithin     ::= WITHIN ( clauseDistance , expression )

    clauseDistance   ::= integer | decimal

    
    clauseResidueSpec::= { clauseResNameSpec }
                         { clauseResNumSpec }
                         { chainSpec }
                         { clauseAtomSpec }
                         { modelSpec }

    clauseResNameSpec::= * | [ resNamePattern ] | resNamePattern

    // question marks are part of identifiers
    // they get split up and dealt with as wildcards at runtime
    // and the integers which are residue number chains get bundled
    // in with the identifier and also split out at runtime
    // iff a variable of that name does not exist

    resNamePattern   ::= up to 3 alphanumeric chars with * and ?

    clauseResNumSpec ::= * | clauseSequenceRange

    clauseSequenceRange ::= clauseSequenceCode { - clauseSequenceCode }

    clauseSequenceCode ::= seqcode | {-} integer

    clauseChainSpec  ::= {:} * | identifier | integer

    clauseAtomSpec   ::= . * | . identifier {*} // note that this * is *not* a wildcard

    clauseModelSpec  ::= {:|/} * | integer
 
 * </pre>
 */
class SelectionCompiler{
    public:
        bool compile();

        std::vector<Token> getCompiledTokens();
    private:

        bool clauseOr();
        bool clauseAnd();
        bool clauseNot();
        bool clausePrimitive();
        bool clauseWithin();
        bool clauseComparator();
        
        internalCompile();

        std::vector<Token> compiledTokens_;
};

}
#endif
Revision:	1961
Committed:	Tue Feb 1 06:55:00 2005 UTC (19 years, 5 months ago) by tim
File size:	4322 byte(s)
Log Message:	adding selection library
#	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_SELECTIONCOMPILER_HPP
43	#define SELECTION_SELECTIONCOMPILER_HPP
44
45	#include <vector>
46	namespace oopse {
47
48
49	/**
50	* @class SelectionCompiler SelectionCompiler.hpp "selection/SelectionCompiler.hpp"
51	* @brief compile a selection script to tokens
52	* <pre>
53
54	expression :: = clauseOr
55
56	clauseOr ::= clauseAnd {OR clauseAnd}*
57
58	clauseAnd ::= clauseNot {AND clauseNot}*
59
60	clauseNot ::= NOT clauseNot \| clausePrimitive
61
62	clausePrimitive ::= clauseComparator \|
63	clauseWithin \|
64	clauseResidueSpec \|
65	none \| all \|
66	( clauseOr )
67
68	clauseComparator ::= atomproperty comparatorop integer
69
70	clauseWithin ::= WITHIN ( clauseDistance , expression )
71
72	clauseDistance ::= integer \| decimal
73
74
75
76
77	clauseResidueSpec::= { clauseResNameSpec }
78	{ clauseResNumSpec }
79	{ chainSpec }
80	{ clauseAtomSpec }
81	{ modelSpec }
82
83	clauseResNameSpec::= * \| [ resNamePattern ] \| resNamePattern
84
85	// question marks are part of identifiers
86	// they get split up and dealt with as wildcards at runtime
87	// and the integers which are residue number chains get bundled
88	// in with the identifier and also split out at runtime
89	// iff a variable of that name does not exist
90
91	resNamePattern ::= up to 3 alphanumeric chars with * and ?
92
93	clauseResNumSpec ::= * \| clauseSequenceRange
94
95	clauseSequenceRange ::= clauseSequenceCode { - clauseSequenceCode }
96
97	clauseSequenceCode ::= seqcode \| {-} integer
98
99	clauseChainSpec ::= {:} * \| identifier \| integer
100
101	clauseAtomSpec ::= . * \| . identifier {} // note that this is not a wildcard
102
103	clauseModelSpec ::= {:\|/} * \| integer
104
105	* </pre>
106	*/
107	class SelectionCompiler{
108	public:
109	bool compile();
110
111	std::vector<Token> getCompiledTokens();
112	private:
113
114	bool clauseOr();
115	bool clauseAnd();
116	bool clauseNot();
117	bool clausePrimitive();
118	bool clauseWithin();
119	bool clauseComparator();
120
121	internalCompile();
122
123	std::vector<Token> compiledTokens_;
124	};
125
126	}
127	#endif