43 |
|
ORIENTATION = "orientation"; |
44 |
|
FLUCQ = "flucQ"; |
45 |
|
RNEMD = "RNEMD"; |
46 |
+ |
MINIMIZER = "minimizer"; |
47 |
|
ENDBLOCK; |
48 |
|
} |
49 |
|
|
58 |
|
| restraintblock |
59 |
|
| flucqblock |
60 |
|
| rnemdblock |
61 |
+ |
| minimizerblock |
62 |
|
; |
63 |
|
|
64 |
|
assignment : ID ASSIGNEQUAL^ constant SEMICOLON! |
65 |
|
; |
66 |
|
|
67 |
|
constant : intConst |
68 |
< |
| floatConst |
68 |
> |
| floatConst |
69 |
> |
| vectorConst |
70 |
|
| ID |
71 |
|
| StringLiteral |
72 |
|
; |
84 |
|
; |
85 |
|
|
86 |
|
rnemdblock : RNEMD^ LCURLY! (assignment)* RCURLY {#RCURLY->setType(ENDBLOCK);} |
87 |
+ |
; |
88 |
+ |
|
89 |
+ |
minimizerblock : MINIMIZER^ LCURLY! (assignment)* RCURLY {#RCURLY->setType(ENDBLOCK);} |
90 |
|
; |
91 |
|
|
92 |
|
moleculeblock : MOLECULE^ LCURLY! (moleculestatement)* RCURLY {#RCURLY->setType(ENDBLOCK);} |
184 |
|
NUM_FLOAT | NUM_DOUBLE |
185 |
|
; |
186 |
|
|
187 |
< |
|
187 |
> |
protected |
188 |
> |
vectorConst |
189 |
> |
: |
190 |
> |
LPAREN^ doubleNumber COMMA doubleNumber COMMA doubleNumber RPAREN |
191 |
> |
; |
192 |
|
|
193 |
|
class MDLexer extends Lexer; |
194 |
|
|