| 42 |  | #ifndef SELECTION_TOKEN_HPP | 
| 43 |  | #define SELECTION_TOKEN_HPP | 
| 44 |  |  | 
| 45 | + | #include <map> | 
| 46 | + | #include <string> | 
| 47 | + | #include <utility> | 
| 48 | + | #include "utils/any.hpp" | 
| 49 |  |  | 
| 50 |  | namespace oopse { | 
| 51 |  |  | 
| 59 |  |  | 
| 60 |  | public: | 
| 61 |  |  | 
| 62 | < | static std::map<std::string, Token> tokenMap; | 
| 59 | < |  | 
| 62 | > |  | 
| 63 |  | int tok; | 
| 64 | < | Object value; | 
| 65 | < | int intValue = Integer.MAX_VALUE; | 
| 64 | > | boost::any value; | 
| 65 | > | int intValue; | 
| 66 |  |  | 
| 67 | < | Token(int tok, int intValue, Object value) { | 
| 68 | < | this.tok = tok; | 
| 69 | < | this.intValue = intValue; | 
| 70 | < | this.value = value; | 
| 67 | > | Token() { tok = unknown;} | 
| 68 | > |  | 
| 69 | > | Token(const Token& token) { | 
| 70 | > | *this = token; | 
| 71 |  | } | 
| 72 | + |  | 
| 73 | + | Token(int tok, int intValue, const boost::any& value) { | 
| 74 | + | this->tok = tok; | 
| 75 | + | this->intValue = intValue; | 
| 76 | + | this->value = value; | 
| 77 | + | } | 
| 78 |  |  | 
| 79 |  | Token(int tok, int intValue) { | 
| 80 | < | this.tok = tok; | 
| 81 | < | this.intValue = intValue; | 
| 80 | > | this->tok = tok; | 
| 81 | > | this->intValue = intValue; | 
| 82 |  | } | 
| 83 |  |  | 
| 84 |  | Token(int tok) { | 
| 85 | < | this.tok = tok; | 
| 85 | > | this->tok = tok; | 
| 86 |  | } | 
| 87 |  |  | 
| 88 | < | Token(int tok, Object value) { | 
| 89 | < | this.tok = tok; | 
| 90 | < | this.value = value; | 
| 88 | > | Token(int tok,  const boost::any& value) { | 
| 89 | > | this->tok = tok; | 
| 90 | > | this->value = value; | 
| 91 |  | } | 
| 92 |  |  | 
| 93 |  | const static int nada              =  0; | 
| 106 |  | const static int expressionCommand = (1 <<  9); // expression command | 
| 107 |  | const static int expression        = (1 << 10); /// expression term | 
| 108 |  |  | 
| 109 | + | // generally, the minus sign is used to denote atom ranges | 
| 110 | + | // this property is used for the few commands which allow negative integers | 
| 111 | + | const static int negnums      = (1 << 11); | 
| 112 | + |  | 
| 113 | + | //expression involves coordinates which will change every frame, such as withins | 
| 114 | + | const static int dynamic        = (1 << 12); | 
| 115 | + |  | 
| 116 |  | // every property is also valid in an expression context | 
| 117 | < | const static int atomproperty      = (1 << 11) | expression; | 
| 117 | > | const static int atomproperty      = (1 << 12) | expression | negnums; | 
| 118 |  | // every predefined is also valid in an expression context | 
| 119 | < | const static int comparator        = (1 << 12) | expression; | 
| 120 | < | const static int predefinedset     = (1 << 13) | expression; | 
| 121 | < |  | 
| 119 | > | const static int comparator        = (1 << 13) | expression; | 
| 120 | > | const static int predefinedset     = (1 << 14) | expression; | 
| 121 | > | const  static int embeddedExpression= (1 << 15); // embedded expression | 
| 122 | > | const static int index = (1 << 16) | expression; | 
| 123 |  | // rasmol commands | 
| 124 |  | const static int define       = command | expressionCommand |1; | 
| 125 |  | const static int select       = command |expressionCommand |2 ; | 
| 109 | – | const static int all          = expression | 11 ; | 
| 126 |  |  | 
| 127 | + | //predefine | 
| 128 | + | //const static int selected    = predefinedset |0; | 
| 129 | + |  | 
| 130 |  | // atom expression operators | 
| 131 |  | const static int leftparen    = expression |  0; | 
| 132 |  | const static int rightparen   = expression |  1; | 
| 134 |  | const static int opAnd        = expression |  3; | 
| 135 |  | const static int opOr         = expression |  4; | 
| 136 |  | const static int opNot        = expression |  5; | 
| 137 | < | const static int within       = expression |  6; | 
| 137 | > | const static int within       = expression | dynamic | 6; | 
| 138 |  | const static int asterisk     = expression |  7; | 
| 139 |  | const static int dot          = expression | 8; | 
| 140 | < |  | 
| 140 | > | const static int all          = expression | 9 ; | 
| 141 | > | const static int none      = expression | 10; | 
| 142 | > | const static int name            =  expression |11; | 
| 143 | > | const static int to                = expression | 12; | 
| 144 |  | // miguel 2005 01 01 | 
| 145 |  | // these are used to demark the beginning and end of expressions | 
| 146 |  | // they do not exist in the source code, but are emitted by the | 
| 148 |  | const static int expressionBegin = expression | 100; | 
| 149 |  | const static int expressionEnd   = expression | 101; | 
| 150 |  |  | 
| 151 | < | const static int atomno       = atomproperty | 0; | 
| 152 | < | const static int elemno       = atomproperty | 1; | 
| 153 | < | const static int resno        = atomproperty | 2; | 
| 132 | < | const static int radius       = atomproperty | 3 ; | 
| 133 | < | const static int _bondedcount = atomproperty | 6; | 
| 134 | < | const static int _groupID     = atomproperty | 7; | 
| 135 | < | const static int _atomID      = atomproperty | 8; | 
| 136 | < |  | 
| 151 | > | const static int mass         = atomproperty | 0; | 
| 152 | > | const static int charge       = atomproperty | 1; | 
| 153 | > |  | 
| 154 |  | const static int opGT         = comparator |  0; | 
| 155 |  | const static int opGE         = comparator |  1; | 
| 156 |  | const static int opLE         = comparator |  2; | 
| 158 |  | const static int opEQ         = comparator |  4; | 
| 159 |  | const static int opNE         = comparator |  5; | 
| 160 |  |  | 
| 161 | < | const static int x            =  expression |2; | 
| 162 | < | const static int y            =  expression | 3; | 
| 146 | < | const static int z            =  expression | 4; | 
| 147 | < | const static int none      =  expression | 5; | 
| 148 | < |  | 
| 149 | < | const static Token tokenExpressionBegin(expressionBegin, "expressionBegin"); | 
| 150 | < | const static Token tokenExpressionEnd(expressionEnd, "expressionEnd"); | 
| 161 | > | static Token tokenExpressionBegin; | 
| 162 | > | static Token tokenExpressionEnd; | 
| 163 |  |  | 
| 152 | – | }; | 
| 153 | – |  | 
| 164 |  | }; | 
| 165 |  |  | 
| 166 |  |  | 
| 157 | – | class TokenMap { | 
| 158 | – | const static Object[] arrayPairs  = { | 
| 159 | – | // commands | 
| 160 | – | "define",            new Token(define, "define"), | 
| 161 | – | "select",            new Token(select, "select"), | 
| 162 | – | // atom expressions | 
| 163 | – | "(",            new Token(leftparen, "("), | 
| 164 | – | ")",            new Token(rightparen, ")"), | 
| 165 | – | "-",            new Token(hyphen, "-"), | 
| 166 | – | "and",          tokenAnd, | 
| 167 | – | "or",           new Token(opOr, "or"), | 
| 168 | – | "not",          new Token(opNot, "not"), | 
| 169 | – | "<",            new Token(opLT, "<"), | 
| 170 | – | "<=",           new Token(opLE, "<="), | 
| 171 | – | ">=",           new Token(opGE, ">="), | 
| 172 | – | ">",            new Token(opGT, ">="), | 
| 173 | – | "==",           new Token(opEQ, "=="), | 
| 174 | – | "!=",           new Token(opNE, "!="), | 
| 175 | – | "within",       new Token(within, "within"), | 
| 176 | – | ".",            new Token(dot, "."), | 
| 177 | – | "atomno",       new Token(atomno, "atomno"), | 
| 178 | – | "elemno",       tokenElemno, | 
| 179 | – | "_bondedcount", new Token(_bondedcount, "_bondedcount"), | 
| 180 | – | "_groupID",     new Token(_groupID, "_groupID"), | 
| 181 | – | "_atomID",      new Token(_atomID, "_atomID"), | 
| 182 | – | "x",            new Token(x, "x"), | 
| 183 | – | "y",            new Token(y, "y"), | 
| 184 | – | "z",            new Token(z, "z"), | 
| 185 | – | "*",            new Token(asterisk, "*"), | 
| 186 | – | "all",          tokenAll, | 
| 187 | – | "none",         new Token(none, "none"), | 
| 188 | – |  | 
| 189 | – | }; | 
| 190 | – |  | 
| 167 |  | } | 
| 168 |  |  | 
| 169 |  | #endif |