| 95 |
|
AtomType* getAtomType(const std::string &at); |
| 96 |
|
BondType* getBondType(const std::string &at1, const std::string &at2); |
| 97 |
|
BendType* getBendType(const std::string &at1, const std::string &at2, |
| 98 |
< |
const std::string &at3); |
| 98 |
> |
const std::string &at3); |
| 99 |
|
TorsionType* getTorsionType(const std::string &at1, const std::string &at2, |
| 100 |
< |
const std::string &at3, const std::string &at4); |
| 100 |
> |
const std::string &at3, const std::string &at4); |
| 101 |
|
|
| 102 |
|
BondType* getExactBondType(const std::string &at1, const std::string &at2); |
| 103 |
|
BendType* getExactBendType(const std::string &at1, const std::string &at2, |
| 104 |
< |
const std::string &at3); |
| 105 |
< |
TorsionType* getExactTorsionType(const std::string &at1, const std::string &at2, |
| 106 |
< |
const std::string &at3, const std::string &at4); |
| 104 |
> |
const std::string &at3); |
| 105 |
> |
TorsionType* getExactTorsionType(const std::string &at1, |
| 106 |
> |
const std::string &at2, |
| 107 |
> |
const std::string &at3, |
| 108 |
> |
const std::string &at4); |
| 109 |
|
|
| 110 |
|
|
| 111 |
|
//avoid make virtual function public |
| 127 |
|
|
| 128 |
|
bool addAtomType(const std::string &at, AtomType* atomType); |
| 129 |
|
|
| 130 |
< |
bool addBondType(const std::string &at1, const std::string &at2, BondType* bondType); |
| 130 |
> |
bool addBondType(const std::string &at1, const std::string &at2, |
| 131 |
> |
BondType* bondType); |
| 132 |
|
|
| 133 |
|
bool addBendType(const std::string &at1, const std::string &at2, |
| 134 |
|
const std::string &at3, BendType* bendType); |