1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
|
%{
#include <BALL/MOLMEC/AMBER/GAFFCESParser.h>
#include "GAFFCESParserParser.h"
#include <BALL/COMMON/parserDefinitions.h>
using namespace BALL;
#include <string.h>
#define YY_INPUT(buf,result,max_size) \
{ \
result = GAFFCESParser::state.current_parser->read(buf, max_size);\
}
%}
%option noyywrap
%option nounput
%x APS
/*definition */
INTEGER [1-4]
SYMBOL [A-Z]+[A-Za-z]?
START_PROPERTY "["
END_PROPERTY "]"
/*rules*/
%%
{INTEGER} {GAFFCESParserlval.number = atoi(yytext); return OPTIONAL_NUMBER;}
{SYMBOL} {GAFFCESParserlval.text = yytext; return ATOMSTRING;}
{START_PROPERTY} {BEGIN(APS); return TK_APS_START;}
<APS>"," {return TK_APS_AND_TERM;}
<APS>"." {return TK_APS_OR_TERM;}
<APS>"DL" {return TK_APS_DELOCALIZED;}
<APS>"SB" {return TK_APS_PURE_SINGLE_BOND;}
<APS>"DB" {return TK_APS_PURE_DOUBLE_BOND;}
<APS>"TB" {return TK_APS_TRIPLE_BOND;}
<APS>"AB" {return TK_APS_AROMATIC_BOND;}
<APS>"sb" {return TK_APS_ALL_SINGLE_BONDS;}
<APS>"db" {return TK_APS_ALL_DOUBLE_BONDS;}
<APS>"tb" {return TK_APS_TRIPLE_BOND;}
<APS>"''" {return TK_APS_NOT_BOUND_TO_PARENT;}
<APS>"'" {return TK_APS_BOUND_TO_PARENT;}
<APS>"AR1" {return TK_APS_PURE_AROMATIC_RING;}
<APS>"AR2" {return TK_APS_PLANAR_RING;}
<APS>"AR3" {return TK_APS_PLANAR_RING_WITH_DB;}
<APS>"AR4" {return TK_APS_OTHER_RING_ATOM;}
<APS>"AR5" {return TK_APS_PURE_ALIPHATIC_RING;}
<APS>"RG3" {return TK_APS_THREE_RING;}
<APS>"RG4" {return TK_APS_FOUR_RING;}
<APS>"RG5" {return TK_APS_FIVE_RING;}
<APS>"RG6" {return TK_APS_SIX_RING;}
<APS>"RG7" {return TK_APS_SEVEN_RING;}
<APS>"RG8" {return TK_APS_EIGHT_RING;}
<APS>"RG9" {return TK_APS_NINE_RING;}
<APS>"RG" {return TK_APS_RING;}
<APS>"NR" {return TK_APS_NON_RING;}
<APS>"*" {return TK_APS_TRUE;}
<APS>[0-9]+ {GAFFCESParserlval.number = atoi(yytext); return TK_APS_NUMBER;}
<APS>{END_PROPERTY} {BEGIN(INITIAL); return TK_APS_END;}
"(" {return TK_OPEN;}
")" {return TK_END;}
"," {return TK_AND;}
"*" {return TK_MATCH_TRUE;}
%%
/*user defined routines*/
void GAFFCESParser_destroy()
{
#ifdef BALL_HAS_YYLEX_DESTROY
GAFFCESParserlex_destroy();
#endif
}
|
