| 4 |
|
#include "io/Globals.hpp" |
| 5 |
|
#include "utils/StringUtils.hpp" |
| 6 |
|
using namespace std; |
| 7 |
< |
using namespace oopse; |
| 7 |
> |
using namespace OpenMD; |
| 8 |
|
} |
| 9 |
|
options |
| 10 |
|
{ |
| 35 |
|
; |
| 36 |
|
|
| 37 |
|
statement : assignment |
| 38 |
< |
| componentblock |
| 39 |
< |
| moleculeblock |
| 40 |
< |
| zconstraintblock |
| 41 |
< |
; |
| 38 |
> |
| componentblock |
| 39 |
> |
| moleculeblock |
| 40 |
> |
| zconstraintblock |
| 41 |
> |
| restraintblock |
| 42 |
> |
| flucqblock |
| 43 |
> |
| rnemdblock |
| 44 |
> |
; |
| 45 |
|
|
| 43 |
– |
|
| 46 |
|
assignment : #(ASSIGNEQUAL id:ID constant[#id]) //{blockStack.top()->assign(#ID->getText(),);} |
| 47 |
|
; |
| 48 |
|
|
| 69 |
|
zconstraintblock : #(ZCONSTRAINT {ZConsStamp* currZConsStamp = new ZConsStamp(); blockStack.push(currZConsStamp);} |
| 70 |
|
(assignment)* |
| 71 |
|
ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addZConsStamp(currZConsStamp);} |
| 72 |
+ |
; |
| 73 |
+ |
|
| 74 |
+ |
restraintblock : #(RESTRAINT {RestraintStamp* currRestraintStamp = new RestraintStamp(); blockStack.push(currRestraintStamp);} |
| 75 |
+ |
(assignment)* |
| 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);} |