| 4 |
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#include "io/Globals.hpp" |
| 5 |
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#include "utils/StringUtils.hpp" |
| 6 |
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using namespace std; |
| 7 |
< |
using namespace oopse; |
| 7 |
> |
using namespace OpenMD; |
| 8 |
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} |
| 9 |
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options |
| 10 |
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{ |
| 15 |
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|
| 16 |
|
options |
| 17 |
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{ |
| 18 |
< |
k = 3; |
| 18 |
> |
k = 1; |
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|
importVocab = MD; |
| 20 |
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} |
| 21 |
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{ |
| 38 |
|
| componentblock |
| 39 |
|
| moleculeblock |
| 40 |
|
| zconstraintblock |
| 41 |
+ |
| restraintblock |
| 42 |
|
; |
| 43 |
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|
| 44 |
|
|
| 69 |
|
(assignment)* |
| 70 |
|
ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addZConsStamp(currZConsStamp);} |
| 71 |
|
; |
| 72 |
+ |
|
| 73 |
+ |
restraintblock : #(RESTRAINT {RestraintStamp* currRestraintStamp = new RestraintStamp(); blockStack.push(currRestraintStamp);} |
| 74 |
+ |
(assignment)* |
| 75 |
+ |
ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addRestraintStamp(currRestraintStamp);} |
| 76 |
+ |
; |
| 77 |
|
|
| 78 |
|
moleculeblock : #(MOLECULE {MoleculeStamp* currMoleculeStamp = new MoleculeStamp(); blockStack.push(currMoleculeStamp);} |
| 79 |
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(moleculestatement)* |