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root/OpenMD/branches/development/src/selection/SelectionToken.hpp
Revision: 1629
Committed: Wed Sep 14 21:15:17 2011 UTC (13 years, 7 months ago) by gezelter
File size: 6583 byte(s)
Log Message:
Merging changes from old branch into development branch

File Contents

# 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. Redistributions of source code must retain the above copyright
10 * notice, this list of conditions and the following disclaimer.
11 *
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.
16 *
17 * This software is provided "AS IS," without a warranty of any
18 * kind. All express or implied conditions, representations and
19 * warranties, including any implied warranty of merchantability,
20 * fitness for a particular purpose or non-infringement, are hereby
21 * excluded. The University of Notre Dame and its licensors shall not
22 * be liable for any damages suffered by licensee as a result of
23 * using, modifying or distributing the software or its
24 * derivatives. In no event will the University of Notre Dame or its
25 * licensors be liable for any lost revenue, profit or data, or for
26 * direct, indirect, special, consequential, incidental or punitive
27 * damages, however caused and regardless of the theory of liability,
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, 24107 (2008).
39 * [4] Vardeman & Gezelter, in progress (2009).
40 */
41
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 OpenMD {
51
52
53 /**
54 * @class Token
55 * @todo document
56 * @note translate from jmol
57 */
58 class Token {
59
60 public:
61
62
63 int tok;
64 boost::any value;
65 int intValue;
66
67 Token() { tok = unknown;}
68
69 Token(const Token& token) {
70 *this = token;
71 }
72
73 Token(int MyTok, int myIntValue, const boost::any& myValue) {
74 this->tok = MyTok;
75 this->intValue = myIntValue;
76 this->value = myValue;
77 }
78
79 Token(int myTok, int myIntValue) {
80 this->tok = myTok;
81 this->intValue = myIntValue;
82 }
83
84 Token(int myTok) {
85 this->tok = myTok;
86 }
87
88 Token(int myTok, const boost::any& myValue) {
89 this->tok = myTok;
90 this->value = myValue;
91 }
92
93 const static int nada = 0;
94 const static int identifier = 1;
95 const static int integer = 2;
96 const static int decimal = 3;
97 const static int string = 4;
98 const static int unknown = 5;
99 const static int keyword = 6;
100 const static int whitespace = 7;
101 const static int comment = 8;
102 const static int endofline = 9;
103 const static int endofstatement = 10;
104
105 const static int command = (1 << 11);
106 const static int expressionCommand = (1 << 12); // expression command
107 const static int expression = (1 << 13); /// 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 << 14);
112
113 //expression involves coordinates which will change every frame, such as withins
114 const static int dynamic = (1 << 15);
115
116 // every property is also valid in an expression context
117 const static int atomproperty = (1 << 16) | expression | negnums;
118 // every predefined is also valid in an expression context
119 const static int comparator = (1 << 17) | expression;
120 const static int predefinedset = (1 << 18) | expression;
121 const static int embeddedExpression= (1 << 19); // embedded expression
122 const static int index = (1 << 20) | expression;
123 // rasmol commands
124 const static int define = command | expressionCommand |1;
125 const static int select = command |expressionCommand |2 ;
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;
133 const static int to = expression | 2;
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 | dynamic | 6;
138 const static int asterisk = expression | 7;
139 const static int dot = expression | 8;
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 hull = expression | dynamic | 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
147 // expression compiler
148 const static int expressionBegin = expression | 100;
149 const static int expressionEnd = expression | 101;
150
151 const static int mass = atomproperty | 0;
152 const static int charge = atomproperty | 1;
153 const static int x = atomproperty | dynamic | 2;
154 const static int y = atomproperty | dynamic | 3;
155 const static int z = atomproperty | dynamic | 4;
156 const static int r = atomproperty | dynamic | 5;
157
158 const static int opGT = comparator | dynamic | 0;
159 const static int opGE = comparator | dynamic | 1;
160 const static int opLE = comparator | dynamic | 2;
161 const static int opLT = comparator | dynamic | 3;
162 const static int opEQ = comparator | dynamic | 4;
163 const static int opNE = comparator | dynamic | 5;
164
165 static Token tokenExpressionBegin;
166 static Token tokenExpressionEnd;
167
168 };
169
170
171 }
172
173 #endif

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