| 499 |
|
int bestScore = foundNBI[0].first; |
| 500 |
|
std::vector<std::string> theKeys = foundNBI[0].second; |
| 501 |
|
|
| 502 |
< |
NonBondedInteractionType* bestType = nonBondedInteractionTypeCont_.find(theKeys); |
| 503 |
< |
|
| 502 |
> |
NonBondedInteractionType* bestType = nonBondedInteractionTypeCont_.find(theKeys); |
| 503 |
|
return bestType; |
| 504 |
|
} else { |
| 505 |
|
//if no exact match found, try wild card match |
| 506 |
< |
return nonBondedInteractionTypeCont_.find(keys, wildCardAtomTypeName_); |
| 506 |
> |
return nonBondedInteractionTypeCont_.find(keys, wildCardAtomTypeName_); |
| 507 |
|
} |
| 508 |
|
} |
| 509 |
|
} |