| 79 |
|
| bondblock |
| 80 |
|
| bendblock |
| 81 |
|
| torsionblock |
| 82 |
+ |
| inversionblock |
| 83 |
|
| rigidbodyblock |
| 84 |
|
| cutoffgroupblock |
| 85 |
|
| fragmentblock |
| 165 |
|
} |
| 166 |
|
: assignment |
| 167 |
|
| #(MEMBERS ivec=inttuple) {currTorsionStamp->setMembers(ivec);} |
| 168 |
+ |
; |
| 169 |
+ |
|
| 170 |
+ |
inversionblock : #(INVERSION {InversionStamp* currInversionStamp = new InversionStamp(); blockStack.push(currInversionStamp);} |
| 171 |
+ |
(inversionstatement)* |
| 172 |
+ |
ENDBLOCK ) { |
| 173 |
+ |
blockStack.top()->validate(); |
| 174 |
+ |
blockStack.pop(); |
| 175 |
+ |
MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top()); |
| 176 |
+ |
currMoleculeStamp->addInversionStamp(currInversionStamp); |
| 177 |
+ |
} |
| 178 |
+ |
; |
| 179 |
+ |
|
| 180 |
+ |
inversionstatement |
| 181 |
+ |
{ |
| 182 |
+ |
int icent; |
| 183 |
+ |
InversionStamp* currInversionStamp = static_cast<InversionStamp*>(blockStack.top()); |
| 184 |
+ |
} |
| 185 |
+ |
: assignment |
| 186 |
+ |
| #(CENTER icent=intConst) {currInversionStamp->setCenter(icent);} |
| 187 |
|
; |
| 188 |
|
|
| 189 |
|
rigidbodyblock |