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root/OpenMD/trunk/src/mdParser/MDParser.hpp
Revision: 1360
Committed: Mon Sep 7 16:31:51 2009 UTC (15 years, 7 months ago) by cli2
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

# Content
1 #ifndef INC_MDParser_hpp_
2 #define INC_MDParser_hpp_
3
4 #include <antlr/config.hpp>
5 /* $ANTLR 2.7.7 (20090623): "MDParser.g" -> "MDParser.hpp"$ */
6 #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 #line 1 "MDParser.g"
22 #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 public: void restraintblock();
54 public: void constant();
55 protected: void intConst();
56 protected: void floatConst();
57 public: void moleculestatement();
58 public: void atomblock();
59 public: void bondblock();
60 public: void bendblock();
61 public: void torsionblock();
62 public: void inversionblock();
63 public: void rigidbodyblock();
64 public: void cutoffgroupblock();
65 public: void fragmentblock();
66 public: void atomstatement();
67 public: void doubleNumberTuple();
68 public: void bondstatement();
69 public: void inttuple();
70 public: void bendstatement();
71 public: void torsionstatement();
72 public: void inversionstatement();
73 public: void rigidbodystatement();
74 public: void cutoffgroupstatement();
75 public: void fragmentstatement();
76 protected: void doubleNumber();
77 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 static const int NUM_TOKENS = 54;
89 #else
90 enum {
91 NUM_TOKENS = 54
92 };
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 static const unsigned long _tokenSet_14_data_[];
124 static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_14;
125 static const unsigned long _tokenSet_15_data_[];
126 static const ANTLR_USE_NAMESPACE(antlr)BitSet _tokenSet_15;
127 };
128
129 #endif /*INC_MDParser_hpp_*/