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/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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* non-exclusive, royalty free, license to use, modify and |
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* redistribute this software in source and binary code form, provided |
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* that the following conditions are met: |
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* |
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* 1. Acknowledgement of the program authors must be made in any |
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* publication of scientific results based in part on use of the |
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* program. An acceptable form of acknowledgement is citation of |
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* the article in which the program was described (Matthew |
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* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
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* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
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* Parallel Simulation Engine for Molecular Dynamics," |
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* J. Comput. Chem. 26, pp. 252-271 (2005)) |
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* |
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* 2. Redistributions of source code must retain the above copyright |
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* notice, this list of conditions and the following disclaimer. |
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* |
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* 3. Redistributions in binary form must reproduce the above copyright |
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* notice, this list of conditions and the following disclaimer in the |
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* documentation and/or other materials provided with the |
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* distribution. |
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* |
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* This software is provided "AS IS," without a warranty of any |
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* kind. All express or implied conditions, representations and |
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* warranties, including any implied warranty of merchantability, |
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* fitness for a particular purpose or non-infringement, are hereby |
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* excluded. The University of Notre Dame and its licensors shall not |
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* be liable for any damages suffered by licensee as a result of |
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* using, modifying or distributing the software or its |
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* derivatives. In no event will the University of Notre Dame or its |
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* licensors be liable for any lost revenue, profit or data, or for |
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* direct, indirect, special, consequential, incidental or punitive |
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* damages, however caused and regardless of the theory of liability, |
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* arising out of the use of or inability to use software, even if the |
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* University of Notre Dame has been advised of the possibility of |
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* such damages. |
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*/ |
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|
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#ifndef SELECTION_SELECTIONCOMPILER_HPP |
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#define SELECTION_SELECTIONCOMPILER_HPP |
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|
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#include <vector> |
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namespace oopse { |
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|
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|
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/** |
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* @class SelectionCompiler SelectionCompiler.hpp "selection/SelectionCompiler.hpp" |
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* @brief compile a selection script to tokens |
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* <pre> |
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|
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expression :: = clauseOr |
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|
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clauseOr ::= clauseAnd {OR clauseAnd}* |
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|
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clauseAnd ::= clauseNot {AND clauseNot}* |
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|
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clauseNot ::= NOT clauseNot | clausePrimitive |
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|
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clausePrimitive ::= clauseComparator | |
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clauseWithin | |
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clauseResidueSpec | |
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none | all | |
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( clauseOr ) |
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|
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clauseComparator ::= atomproperty comparatorop integer |
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|
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clauseWithin ::= WITHIN ( clauseDistance , expression ) |
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|
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clauseDistance ::= integer | decimal |
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|
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|
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|
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|
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clauseResidueSpec::= { clauseResNameSpec } |
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{ clauseResNumSpec } |
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{ chainSpec } |
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{ clauseAtomSpec } |
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{ modelSpec } |
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|
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clauseResNameSpec::= * | [ resNamePattern ] | resNamePattern |
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|
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// question marks are part of identifiers |
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// they get split up and dealt with as wildcards at runtime |
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// and the integers which are residue number chains get bundled |
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// in with the identifier and also split out at runtime |
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// iff a variable of that name does not exist |
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|
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resNamePattern ::= up to 3 alphanumeric chars with * and ? |
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|
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clauseResNumSpec ::= * | clauseSequenceRange |
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|
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clauseSequenceRange ::= clauseSequenceCode { - clauseSequenceCode } |
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|
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clauseSequenceCode ::= seqcode | {-} integer |
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|
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clauseChainSpec ::= {:} * | identifier | integer |
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|
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clauseAtomSpec ::= . * | . identifier {*} // note that this * is *not* a wildcard |
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|
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clauseModelSpec ::= {:|/} * | integer |
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|
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* </pre> |
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*/ |
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class SelectionCompiler{ |
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public: |
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bool compile(); |
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|
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std::vector<Token> getCompiledTokens(); |
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private: |
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|
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bool clauseOr(); |
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bool clauseAnd(); |
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bool clauseNot(); |
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bool clausePrimitive(); |
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bool clauseWithin(); |
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bool clauseComparator(); |
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|
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internalCompile(); |
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|
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std::vector<Token> compiledTokens_; |
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}; |
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|
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} |
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#endif |
