| # | Line 515 | Line 515 | namespace oopse { | |
|---|---|---|
| 515 | std::vector<std::string> keys; | |
| 516 | keys.push_back(at); | |
| 517 | return atomTypeCont_.add(keys, atomType); | |
| 518 | + | } |
| 519 | + | |
| 520 | + | bool ForceField::replaceAtomType(const std::string &at, AtomType* atomType) { |
| 521 | + | std::vector<std::string> keys; |
| 522 | + | keys.push_back(at); |
| 523 | + | return atomTypeCont_.replace(keys, atomType); |
| 524 | } | |
| 525 | ||
| 526 | bool ForceField::addBondType(const std::string &at1, const std::string &at2, | |
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