src/selection/SelectionToken.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. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 2. 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.
 *
 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
 * research, please cite the appropriate papers when you publish your
 * work.  Good starting points are:
 *                                                                      
 * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
 * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
 * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 */

#ifndef SELECTION_TOKEN_HPP
#define SELECTION_TOKEN_HPP

#include <map>
#include <string>
#include <utility>
#include "utils/any.hpp"

namespace OpenMD {


  /**
   * @class Token
   * @todo document
   * @note translate from jmol
   */
  class Token {

  public:


    int tok;
    boost::any value;
    int intValue;

    Token() { tok = unknown;}

    Token(const Token& token) {
      *this = token;
    }
        
    Token(int MyTok, int myIntValue, const boost::any& myValue) {
      this->tok = MyTok;
      this->intValue = myIntValue;
      this->value = myValue;
    }

    Token(int myTok, int myIntValue) {
      this->tok = myTok;
      this->intValue = myIntValue;
    }

    Token(int myTok) {
      this->tok = myTok;
    }

    Token(int myTok,  const boost::any& myValue) {
      this->tok = myTok;
      this->value = myValue;
    }
        
    const static int nada              =  0;
    const static int identifier        =  1;
    const static int integer           =  2;
    const static int decimal           =  3;
    const static int string            =  4;
    const static int unknown           =  5;
    const static int keyword           =  6;
    const static int whitespace        =  7;
    const static int comment           =  8;
    const static int endofline         = 9;
    const static int endofstatement    = 10;

    const static int command           = (1 <<  11);
    const static int expressionCommand = (1 <<  12); // expression command
    const static int expression        = (1 << 13); /// expression term

    // generally, the minus sign is used to denote atom ranges
    // this property is used for the few commands which allow negative integers
    const static int negnums      = (1 << 14);

    //expression involves coordinates which will change every frame, such as withins
    const static int dynamic        = (1 << 15);

    // every property is also valid in an expression context
    const static int atomproperty      = (1 << 16) | expression | negnums;
    // every predefined is also valid in an expression context
    const static int comparator        = (1 << 17) | expression;
    const static int predefinedset     = (1 << 18) | expression;
    const  static int embeddedExpression= (1 << 19); // embedded expression
    const static int index = (1 << 20) | expression;
    // rasmol commands
    const static int define       = command | expressionCommand |1;
    const static int select       = command |expressionCommand |2 ;

    //predefine
    //const static int selected    = predefinedset |0;

    // atom expression operators
    const static int leftparen    = expression |  0;
    const static int rightparen   = expression |  1;
    const static int to           = expression |  2;
    const static int opAnd        = expression |  3;
    const static int opOr         = expression |  4;
    const static int opNot        = expression |  5;
    const static int within       = expression | dynamic | 6;
    const static int asterisk     = expression |  7;
    const static int dot          = expression | 8;
    const static int all          = expression | 9 ; 
    const static int none         = expression | 10;
    const static int name         = expression | 11;
    const static int hull         = expression | dynamic | 12;

    // miguel 2005 01 01
    // these are used to demark the beginning and end of expressions
    // they do not exist in the source code, but are emitted by the
    // expression compiler
    const static int expressionBegin = expression | 100;
    const static int expressionEnd   = expression | 101;

    const static int mass         = atomproperty | 0;
    const static int charge       = atomproperty | 1;
    const static int x            = atomproperty | dynamic | 2;
    const static int y            = atomproperty | dynamic | 3;
    const static int z            = atomproperty | dynamic | 4;
    const static int r            = atomproperty | dynamic | 5;
    const static int wrappedX     = atomproperty | dynamic | 6;
    const static int wrappedY     = atomproperty | dynamic | 7;
    const static int wrappedZ     = atomproperty | dynamic | 8;
        
    const static int opGT         = comparator |  dynamic | 0;
    const static int opGE         = comparator |  dynamic | 1;
    const static int opLE         = comparator |  dynamic | 2;
    const static int opLT         = comparator |  dynamic | 3;
    const static int opEQ         = comparator |  dynamic | 4;
    const static int opNE         = comparator |  dynamic | 5;
 
    static Token tokenExpressionBegin;
    static Token tokenExpressionEnd;

  };


}

#endif 
Revision:	1854
Committed:	Thu Mar 28 20:54:06 2013 UTC (12 years, 7 months ago) by gezelter
File size:	6843 byte(s)
Log Message:	First pass at angular momentum aware version of VSS-RNEMD.
#	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, 234107 (2008).
39	* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40	* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41	*/
42
43	#ifndef SELECTION_TOKEN_HPP
44	#define SELECTION_TOKEN_HPP
45
46	#include <map>
47	#include <string>
48	#include <utility>
49	#include "utils/any.hpp"
50
51	namespace OpenMD {
52
53
54	/**
55	* @class Token
56	* @todo document
57	* @note translate from jmol
58	*/
59	class Token {
60
61	public:
62
63
64	int tok;
65	boost::any value;
66	int intValue;
67
68	Token() { tok = unknown;}
69
70	Token(const Token& token) {
71	*this = token;
72	}
73
74	Token(int MyTok, int myIntValue, const boost::any& myValue) {
75	this->tok = MyTok;
76	this->intValue = myIntValue;
77	this->value = myValue;
78	}
79
80	Token(int myTok, int myIntValue) {
81	this->tok = myTok;
82	this->intValue = myIntValue;
83	}
84
85	Token(int myTok) {
86	this->tok = myTok;
87	}
88
89	Token(int myTok, const boost::any& myValue) {
90	this->tok = myTok;
91	this->value = myValue;
92	}
93
94	const static int nada = 0;
95	const static int identifier = 1;
96	const static int integer = 2;
97	const static int decimal = 3;
98	const static int string = 4;
99	const static int unknown = 5;
100	const static int keyword = 6;
101	const static int whitespace = 7;
102	const static int comment = 8;
103	const static int endofline = 9;
104	const static int endofstatement = 10;
105
106	const static int command = (1 << 11);
107	const static int expressionCommand = (1 << 12); // expression command
108	const static int expression = (1 << 13); /// expression term
109
110	// generally, the minus sign is used to denote atom ranges
111	// this property is used for the few commands which allow negative integers
112	const static int negnums = (1 << 14);
113
114	//expression involves coordinates which will change every frame, such as withins
115	const static int dynamic = (1 << 15);
116
117	// every property is also valid in an expression context
118	const static int atomproperty = (1 << 16) \| expression \| negnums;
119	// every predefined is also valid in an expression context
120	const static int comparator = (1 << 17) \| expression;
121	const static int predefinedset = (1 << 18) \| expression;
122	const static int embeddedExpression= (1 << 19); // embedded expression
123	const static int index = (1 << 20) \| expression;
124	// rasmol commands
125	const static int define = command \| expressionCommand \|1;
126	const static int select = command \|expressionCommand \|2 ;
127
128	//predefine
129	//const static int selected = predefinedset \|0;
130
131	// atom expression operators
132	const static int leftparen = expression \| 0;
133	const static int rightparen = expression \| 1;
134	const static int to = expression \| 2;
135	const static int opAnd = expression \| 3;
136	const static int opOr = expression \| 4;
137	const static int opNot = expression \| 5;
138	const static int within = expression \| dynamic \| 6;
139	const static int asterisk = expression \| 7;
140	const static int dot = expression \| 8;
141	const static int all = expression \| 9 ;
142	const static int none = expression \| 10;
143	const static int name = expression \| 11;
144	const static int hull = expression \| dynamic \| 12;
145
146	// miguel 2005 01 01
147	// these are used to demark the beginning and end of expressions
148	// they do not exist in the source code, but are emitted by the
149	// expression compiler
150	const static int expressionBegin = expression \| 100;
151	const static int expressionEnd = expression \| 101;
152
153	const static int mass = atomproperty \| 0;
154	const static int charge = atomproperty \| 1;
155	const static int x = atomproperty \| dynamic \| 2;
156	const static int y = atomproperty \| dynamic \| 3;
157	const static int z = atomproperty \| dynamic \| 4;
158	const static int r = atomproperty \| dynamic \| 5;
159	const static int wrappedX = atomproperty \| dynamic \| 6;
160	const static int wrappedY = atomproperty \| dynamic \| 7;
161	const static int wrappedZ = atomproperty \| dynamic \| 8;
162
163	const static int opGT = comparator \| dynamic \| 0;
164	const static int opGE = comparator \| dynamic \| 1;
165	const static int opLE = comparator \| dynamic \| 2;
166	const static int opLT = comparator \| dynamic \| 3;
167	const static int opEQ = comparator \| dynamic \| 4;
168	const static int opNE = comparator \| dynamic \| 5;
169
170	static Token tokenExpressionBegin;
171	static Token tokenExpressionEnd;
172
173	};
174
175
176	}
177
178	#endif