35 |
|
; |
36 |
|
|
37 |
|
statement : assignment |
38 |
< |
| componentblock |
39 |
< |
| moleculeblock |
40 |
< |
| zconstraintblock |
41 |
< |
| restraintblock |
42 |
< |
; |
43 |
< |
|
38 |
> |
| componentblock |
39 |
> |
| moleculeblock |
40 |
> |
| zconstraintblock |
41 |
> |
| restraintblock |
42 |
> |
| flucqblock |
43 |
> |
| rnemdblock |
44 |
> |
; |
45 |
|
|
46 |
|
assignment : #(ASSIGNEQUAL id:ID constant[#id]) //{blockStack.top()->assign(#ID->getText(),);} |
47 |
|
; |
76 |
|
ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addRestraintStamp(currRestraintStamp);} |
77 |
|
; |
78 |
|
|
79 |
+ |
flucqblock : #(FLUCQ {FluctuatingChargeParameters* flucQpars = new FluctuatingChargeParameters(); blockStack.push(flucQpars);} |
80 |
+ |
(assignment)* |
81 |
+ |
ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addFluctuatingChargeParameters(flucQpars);} |
82 |
+ |
; |
83 |
+ |
|
84 |
+ |
rnemdblock : #(RNEMD {RNEMDParameters* rnemdPars = new RNEMDParameters(); blockStack.push(rnemdPars);} |
85 |
+ |
(assignment)* |
86 |
+ |
ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addRNEMDParameters(rnemdPars);} |
87 |
+ |
; |
88 |
+ |
|
89 |
+ |
|
90 |
|
moleculeblock : #(MOLECULE {MoleculeStamp* currMoleculeStamp = new MoleculeStamp(); blockStack.push(currMoleculeStamp);} |
91 |
|
(moleculestatement)* |
92 |
|
ENDBLOCK ) {blockStack.top()->validate(); blockStack.pop(); currConf->addMoleculeStamp(currMoleculeStamp);} |