80 |
|
|
81 |
|
} |
82 |
|
|
83 |
< |
void ForceField::addAtomType(const std::string &at, AtomType* atomType) { |
83 |
> |
bool ForceField::addAtomType(const std::string &at, AtomType* atomType) { |
84 |
|
std::vector<std::string> keys; |
85 |
|
keys.push_back(at); |
86 |
|
return atomTypeCont_.add(keys); |
87 |
|
} |
88 |
|
|
89 |
< |
void ForceField::addBondType(const std::string &at1, const std::string &at2, BondType* bondType) { |
89 |
> |
bool ForceField::addBondType(const std::string &at1, const std::string &at2, BondType* bondType) { |
90 |
|
std::vector<std::string> keys; |
91 |
|
keys.push_back(at1); |
92 |
|
keys.push_back(at2); |
94 |
|
|
95 |
|
} |
96 |
|
|
97 |
< |
void ForceField::addBendType(const std::string &at1, const std::string &at2, |
97 |
> |
bool ForceField::addBendType(const std::string &at1, const std::string &at2, |
98 |
|
const std::string &at3, BendType* bendType) { |
99 |
|
std::vector<std::string> keys; |
100 |
|
keys.push_back(at1); |
103 |
|
return bendTypeCont_.add(keys); |
104 |
|
} |
105 |
|
|
106 |
< |
void ForceField::addTorsionType(const std::string &at1, const std::string &at2, |
106 |
> |
bool ForceField::addTorsionType(const std::string &at1, const std::string &at2, |
107 |
|
const std::string &at3, const std::string &at4, TorsionType* torsionType) { |
108 |
|
std::vector<std::string> keys; |
109 |
|
keys.push_back(at1); |