--- trunk/src/mdParser/MDParser.g 2009/11/25 20:02:06 1390 +++ trunk/src/mdParser/MDParser.g 2013/07/16 17:16:45 1902 @@ -39,8 +39,12 @@ tokens FRAGMENT = "fragment"; MEMBERS = "members"; CENTER = "center"; + SATELLITES = "satellites"; POSITION = "position"; ORIENTATION = "orientation"; + FLUCQ = "flucQ"; + RNEMD = "RNEMD"; + MINIMIZER = "minimizer"; ENDBLOCK; } @@ -49,17 +53,21 @@ statement : assignment ; statement : assignment - | componentblock - | moleculeblock - | zconstraintblock - | restraintblock - ; - + | componentblock + | moleculeblock + | zconstraintblock + | restraintblock + | flucqblock + | rnemdblock + | minimizerblock + ; + assignment : ID ASSIGNEQUAL^ constant SEMICOLON! ; constant : intConst - | floatConst + | floatConst + | vectorConst | ID | StringLiteral ; @@ -72,6 +80,15 @@ restraintblock : RESTRAINT^ LCURLY! (assignment)* RCU restraintblock : RESTRAINT^ LCURLY! (assignment)* RCURLY {#RCURLY->setType(ENDBLOCK);} ; + +flucqblock : FLUCQ^ LCURLY! (assignment)* RCURLY {#RCURLY->setType(ENDBLOCK);} + ; + +rnemdblock : RNEMD^ LCURLY! (assignment)* RCURLY {#RCURLY->setType(ENDBLOCK);} + ; + +minimizerblock : MINIMIZER^ LCURLY! (assignment)* RCURLY {#RCURLY->setType(ENDBLOCK);} + ; moleculeblock : MOLECULE^ LCURLY! (moleculestatement)* RCURLY {#RCURLY->setType(ENDBLOCK);} ; @@ -122,6 +139,7 @@ inversionstatement : assignment inversionstatement : assignment | CENTER^ LPAREN! intConst RPAREN! SEMICOLON! + | SATELLITES^ LPAREN! inttuple RPAREN! SEMICOLON! ; rigidbodyblock : RIGIDBODY^ LBRACKET! intConst RBRACKET! LCURLY!(rigidbodystatement)* RCURLY {#RCURLY->setType(ENDBLOCK);} @@ -168,7 +186,11 @@ floatConst NUM_FLOAT | NUM_DOUBLE ; - +protected +vectorConst + : + LPAREN^ doubleNumber COMMA doubleNumber COMMA doubleNumber RPAREN + ; class MDLexer extends Lexer;