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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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#ifndef SELECTION_TOKEN_HPP |
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#define SELECTION_TOKEN_HPP |
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namespace oopse { |
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/** |
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* @class Token |
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* @todo document |
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*/ |
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class Token { |
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public: |
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int tok; |
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int intValue; |
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const static int nada = 0; |
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const static int identifier = 1; |
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const static int integer = 2; |
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const static int decimal = 3; |
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const static int string = 4; |
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const static int seqcode = 5; |
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const static int unknown = 6; |
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const static int keyword = 7; |
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const static int whitespace = 8; |
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const static int comment = 9; |
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const static int endofline = 10; |
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const static int endofstatement = 11; |
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const static int command = (1 << 8); |
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const static int expressionCommand = (1 << 9); // expression command |
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const static int expression = (1 << 15); /// expression term |
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// every property is also valid in an expression context |
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const static int atomproperty = (1 << 16) | expression; |
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// every predefined is also valid in an expression context |
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const static int comparator = (1 << 17) | expression; |
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const static int predefinedset = (1 << 18) | expression; |
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// generally, the minus sign is used to denote atom ranges |
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// this property is used for the few commands which allow negative integers |
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const static int negnums = (1 << 21); |
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// for some commands the 'set' is optional |
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// These are unrelated |
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const static int varArgCount = (1 << 4); |
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const static int onDefault1 = (1 << 5) | 1; |
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// rasmol commands |
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const static int define = command | expressionCommand |1; |
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const static int select = command |expressionCommand |2 ; |
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const static int all = expression | 11 ; |
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// atom expression operators |
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const static int leftparen = expression | 0; |
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const static int rightparen = expression | 1; |
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const static int hyphen = expression | 2; |
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const static int opAnd = expression | 3; |
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const static int opOr = expression | 4; |
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const static int opNot = expression | 5; |
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const static int within = expression | 6; |
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const static int plus = expression | 7; |
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const static int pick = expression | 8; |
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const static int asterisk = expression | 9; |
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const static int dot = expression | 11; |
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const static int leftsquare = expression | 12; |
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const static int rightsquare = expression | 13; |
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const static int colon = expression | 14; |
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const static int slash = expression | 15; |
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// miguel 2005 01 01 |
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// these are used to demark the beginning and end of expressions |
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// they do not exist in the source code, but are emitted by the |
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// expression compiler |
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const static int expressionBegin = expression | 100; |
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const static int expressionEnd = expression | 101; |
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const static int atomno = atomproperty | 0; |
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const static int elemno = atomproperty | 1; |
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const static int resno = atomproperty | 2; |
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const static int radius = atomproperty | 3 ; |
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const static int _bondedcount = atomproperty | 6; |
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const static int _groupID = atomproperty | 7; |
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const static int _atomID = atomproperty | 8; |
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const static int _structure = atomproperty | 9; |
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const static int occupancy = atomproperty | 10; |
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const static int polymerLength= atomproperty | 11; |
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const static int opGT = comparator | 0; |
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const static int opGE = comparator | 1; |
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const static int opLE = comparator | 2; |
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const static int opLT = comparator | 3; |
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const static int opEQ = comparator | 4; |
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const static int opNE = comparator | 5; |
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const static int x = expression |2; |
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const static int y = expression | 3; |
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const static int z = expression | 4; |
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const static int none = expression | 5; |
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const static Token tokenAll(all, "all"); |
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const static Token tokenAnd(opAnd, "and"); |
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const static Token tokenElemno(elemno, "elemno"); |
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const static Token tokenExpressionBegin(expressionBegin, "expressionBegin"); |
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const static Token tokenExpressionEnd(expressionEnd, "expressionEnd"); |
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const static String[] comparatorNames = {">", ">=", "<=", "<", "=", "!="}; |
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const static String[] atomPropertyNames = { |
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"atomno", "elemno", "resno", "radius", "temperature", "model", |
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"_bondedcount", "_groupID", "_atomID", "_structure"}; |
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/* |
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Note that the RasMol scripting language is case-insensitive. |
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So, the compiler turns all identifiers to lower-case before |
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looking up in the hash table. |
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Therefore, the left column of this array *must* be lower-case |
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*/ |
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const static Object[] arrayPairs = { |
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// commands |
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"define", new Token(define, varArgCount, "define"), |
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"select", new Token(select, varArgCount, "select"), |
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// atom expressions |
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"(", new Token(leftparen, "("), |
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")", new Token(rightparen, ")"), |
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"-", new Token(hyphen, "-"), |
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"and", tokenAnd, |
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"&", null, |
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"&&", null, |
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"or", new Token(opOr, "or"), |
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",", null, |
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"|", null, |
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"||", null, |
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"not", new Token(opNot, "not"), |
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"!", null, |
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"<", new Token(opLT, "<"), |
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"<=", new Token(opLE, "<="), |
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">=", new Token(opGE, ">="), |
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">", new Token(opGT, ">="), |
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"==", new Token(opEQ, "=="), |
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"=", null, |
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"!=", new Token(opNE, "!="), |
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"<>", null, |
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"/=", null, |
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"within", new Token(within, "within"), |
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"+", new Token(plus, "+"), |
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"pick", new Token(pick, "pick"), |
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".", new Token(dot, "."), |
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"[", new Token(leftsquare, "["), |
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"]", new Token(rightsquare, "]"), |
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":", new Token(colon, ":"), |
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"/", new Token(slash, "/"), |
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"atomno", new Token(atomno, "atomno"), |
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"elemno", tokenElemno, |
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"_e", tokenElemno, |
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"resno", new Token(resno, "resno"), |
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"temperature", new Token(temperature, "temperature"), |
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"relativetemperature", null, |
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"_bondedcount", new Token(_bondedcount, "_bondedcount"), |
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"_groupID", new Token(_groupID, "_groupID"), |
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"_g", null, |
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"_atomID", new Token(_atomID, "_atomID"), |
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"_a", null, |
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"_structure", new Token(_structure, "_structure"), |
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"occupancy", new Token(occupancy, "occupancy"), |
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"polymerlength",new Token(polymerLength, "polymerlength"), |
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"x", new Token(x, "x"), |
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"y", new Token(y, "y"), |
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"z", new Token(z, "z"), |
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"*", new Token(asterisk, "*"), |
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"all", tokenAll, |
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"none", new Token(none, "none"), |
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}; |
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static Hashtable map = new Hashtable(); |
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static { |
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Token tokenLast = null; |
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String stringThis; |
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Token tokenThis; |
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for (int i = 0; i + 1 < arrayPairs.length; i += 2) { |
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stringThis = (String) arrayPairs[i]; |
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tokenThis = (Token) arrayPairs[i + 1]; |
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if (tokenThis == null) |
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tokenThis = tokenLast; |
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if (map.get(stringThis) != null) |
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System.out.println("duplicate token definition:" + stringThis); |
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map.put(stringThis, tokenThis); |
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tokenLast = tokenThis; |
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} |
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} |
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}; |
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} |
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#endif |