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root/OpenMD/branches/development/src/mdParser/MDParser.hpp
Revision: 1360
Committed: Mon Sep 7 16:31:51 2009 UTC (15 years, 7 months ago) by cli2
Original Path: trunk/src/mdParser/MDParser.hpp
File size: 4285 byte(s)
Log Message: 
Added new restraint infrastructure
Added MolecularRestraints
Added ObjectRestraints
Added RestraintStamp
Updated thermodynamic integration to use ObjectRestraints
Added Quaternion mathematics for twist swing decompositions
Significantly updated RestWriter and RestReader to use dump-like files
Added selections for x, y, and z coordinates of atoms
Removed monolithic Restraints class
Fixed a few bugs in gradients of Euler angles in DirectionalAtom and RigidBody
Added some rotational capabilities to prinicpalAxisCalculator

File Contents

# User Rev Content
1 tim 770 #ifndef INC_MDParser_hpp_
2     #define INC_MDParser_hpp_
3    
4     #include <antlr/config.hpp>
5 cli2 1360 /* $ANTLR 2.7.7 (20090623): "MDParser.g" -> "MDParser.hpp"$ */
6 tim 770 #include <antlr/TokenStream.hpp>
7     #include <antlr/TokenBuffer.hpp>
8     #include "MDTokenTypes.hpp"
9     #include <antlr/LLkParser.hpp>
10    
11     #line 2 "MDParser.g"
12    
13    
14     #include "antlr/CharScanner.hpp"
15     #include "utils/StringUtils.hpp"
16     #include "mdParser/FilenameObserver.hpp"
17    
18     #line 19 "MDParser.hpp"
19     class CUSTOM_API MDParser : public ANTLR_USE_NAMESPACE(antlr)LLkParser, public MDTokenTypes
20     {
21 tim 810 #line 1 "MDParser.g"
22 tim 770 #line 23 "MDParser.hpp"
23     public:
24     void initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& factory );
25     protected:
26     MDParser(ANTLR_USE_NAMESPACE(antlr)TokenBuffer& tokenBuf, int k);
27     public:
28     MDParser(ANTLR_USE_NAMESPACE(antlr)TokenBuffer& tokenBuf);
29     protected:
30     MDParser(ANTLR_USE_NAMESPACE(antlr)TokenStream& lexer, int k);
31     public:
32     MDParser(ANTLR_USE_NAMESPACE(antlr)TokenStream& lexer);
33     MDParser(const ANTLR_USE_NAMESPACE(antlr)ParserSharedInputState& state);
34     int getNumTokens() const
35     {
36     return MDParser::NUM_TOKENS;
37     }
38     const char* getTokenName( int type ) const
39     {
40     if( type > getNumTokens() ) return 0;
41     return MDParser::tokenNames[type];
42     }
43     const char* const* getTokenNames() const
44     {
45     return MDParser::tokenNames;
46     }
47     public: void mdfile();
48     public: void statement();
49     public: void assignment();
50     public: void componentblock();
51     public: void moleculeblock();
52     public: void zconstraintblock();
53 cli2 1360 public: void restraintblock();
54 tim 770 public: void constant();
55 tim 814 protected: void intConst();
56     protected: void floatConst();
57 tim 770 public: void moleculestatement();
58     public: void atomblock();
59     public: void bondblock();
60     public: void bendblock();
61     public: void torsionblock();
62 gezelter 1277 public: void inversionblock();
63 tim 770 public: void rigidbodyblock();
64     public: void cutoffgroupblock();
65     public: void fragmentblock();
66     public: void atomstatement();
67 tim 814 public: void doubleNumberTuple();
68 tim 770 public: void bondstatement();
69     public: void inttuple();
70     public: void bendstatement();
71     public: void torsionstatement();
72 cli2 1275 public: void inversionstatement();
73 tim 770 public: void rigidbodystatement();
74     public: void cutoffgroupstatement();
75     public: void fragmentstatement();
76 tim 814 protected: void doubleNumber();
77 tim 770 public:
78     ANTLR_USE_NAMESPACE(antlr)RefAST getAST()
79     {
80     return returnAST;
81     }
82    
83     protected:
84     ANTLR_USE_NAMESPACE(antlr)RefAST returnAST;
85     private:
86     static const char* tokenNames[];
87     #ifndef NO_STATIC_CONSTS
88 cli2 1360 static const int NUM_TOKENS = 54;
89 tim 770 #else
90     enum {
91 cli2 1360 NUM_TOKENS = 54
92 tim 770 };
93     #endif
94    
95     static const unsigned long _tokenSet_0_data_[];
96     static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_0;
97     static const unsigned long _tokenSet_1_data_[];
98     static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_1;
99     static const unsigned long _tokenSet_2_data_[];
100     static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_2;
101     static const unsigned long _tokenSet_3_data_[];
102     static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_3;
103     static const unsigned long _tokenSet_4_data_[];
104     static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_4;
105     static const unsigned long _tokenSet_5_data_[];
106     static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_5;
107     static const unsigned long _tokenSet_6_data_[];
108     static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_6;
109     static const unsigned long _tokenSet_7_data_[];
110     static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_7;
111     static const unsigned long _tokenSet_8_data_[];
112     static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_8;
113     static const unsigned long _tokenSet_9_data_[];
114     static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_9;
115     static const unsigned long _tokenSet_10_data_[];
116     static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_10;
117     static const unsigned long _tokenSet_11_data_[];
118     static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_11;
119     static const unsigned long _tokenSet_12_data_[];
120     static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_12;
121     static const unsigned long _tokenSet_13_data_[];
122     static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_13;
123 tim 814 static const unsigned long _tokenSet_14_data_[];
124     static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_14;
125 cli2 1275 static const unsigned long _tokenSet_15_data_[];
126     static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_15;
127 tim 770 };
128    
129     #endif /*INC_MDParser_hpp_*/