| 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);} |