| 41 |
|
CENTER = "center"; |
| 42 |
|
POSITION = "position"; |
| 43 |
|
ORIENTATION = "orientation"; |
| 44 |
+ |
FLUCQ = "flucQ"; |
| 45 |
+ |
RNEMD = "RNEMD"; |
| 46 |
+ |
MINIMIZER = "minimizer"; |
| 47 |
|
ENDBLOCK; |
| 48 |
|
} |
| 49 |
|
|
| 52 |
|
; |
| 53 |
|
|
| 54 |
|
statement : assignment |
| 55 |
< |
| componentblock |
| 56 |
< |
| moleculeblock |
| 57 |
< |
| zconstraintblock |
| 58 |
< |
| restraintblock |
| 59 |
< |
; |
| 60 |
< |
|
| 55 |
> |
| componentblock |
| 56 |
> |
| moleculeblock |
| 57 |
> |
| zconstraintblock |
| 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 |
|
; |
| 79 |
|
|
| 80 |
|
restraintblock : RESTRAINT^ LCURLY! (assignment)* RCURLY {#RCURLY->setType(ENDBLOCK);} |
| 81 |
|
; |
| 82 |
+ |
|
| 83 |
+ |
flucqblock : FLUCQ^ LCURLY! (assignment)* RCURLY {#RCURLY->setType(ENDBLOCK);} |
| 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);} |
| 93 |
|
; |
| 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 |
|
|