| 170 |
|
return atoms_[i]; |
| 171 |
|
} |
| 172 |
|
|
| 173 |
< |
Atom* Molecule::beginAtom(std::vector<Atom*>::iterator& i) { |
| 173 |
> |
Atom* beginAtom(std::vector<Atom*>::iterator& i) { |
| 174 |
|
i = atoms_.begin(); |
| 175 |
|
return (i == atoms_.end()) ? NULL : *i; |
| 176 |
|
} |
| 177 |
|
|
| 178 |
< |
Atom* Molecule::nextAtom(std::vector<Atom*>::iterator& i) { |
| 178 |
> |
Atom* nextAtom(std::vector<Atom*>::iterator& i) { |
| 179 |
|
++i; |
| 180 |
|
return (i == atoms_.end()) ? NULL : *i; |
| 181 |
|
} |
| 182 |
|
|
| 183 |
< |
Bond* Molecule::beginBond(std::vector<Bond*>::iterator& i) { |
| 183 |
> |
Bond* beginBond(std::vector<Bond*>::iterator& i) { |
| 184 |
|
i = bonds_.begin(); |
| 185 |
|
return (i == bonds_.end()) ? NULL : *i; |
| 186 |
|
} |
| 187 |
|
|
| 188 |
< |
Bond* Molecule::nextBond(std::vector<Bond*>::iterator& i) { |
| 188 |
> |
Bond* nextBond(std::vector<Bond*>::iterator& i) { |
| 189 |
|
++i; |
| 190 |
|
return (i == bonds_.end()) ? NULL : *i; |
| 191 |
|
|
| 192 |
|
} |
| 193 |
|
|
| 194 |
< |
Bend* Molecule::beginBend(std::vector<Bend*>::iterator& i) { |
| 194 |
> |
Bend* beginBend(std::vector<Bend*>::iterator& i) { |
| 195 |
|
i = bends_.begin(); |
| 196 |
|
return (i == bends_.end()) ? NULL : *i; |
| 197 |
|
} |
| 198 |
|
|
| 199 |
< |
Bend* Molecule::nextBend(std::vector<Bend*>::iterator& i) { |
| 199 |
> |
Bend* nextBend(std::vector<Bend*>::iterator& i) { |
| 200 |
|
++i; |
| 201 |
|
return (i == bends_.end()) ? NULL : *i; |
| 202 |
|
} |
| 203 |
|
|
| 204 |
< |
Torsion* Molecule::beginTorsion(std::vector<Torsion*>::iterator& i) { |
| 204 |
> |
Torsion* beginTorsion(std::vector<Torsion*>::iterator& i) { |
| 205 |
|
i = torsions_.begin(); |
| 206 |
|
return (i == torsions_.end()) ? NULL : *i; |
| 207 |
|
} |
| 208 |
|
|
| 209 |
< |
Torsion* Molecule::nextTorsion(std::vector<Torsion*>::iterator& i) { |
| 209 |
> |
Torsion* nextTorsion(std::vector<Torsion*>::iterator& i) { |
| 210 |
|
++i; |
| 211 |
|
return (i == torsions_.end()) ? NULL : *i; |
| 212 |
|
} |
| 213 |
|
|
| 214 |
< |
RigidBody* Molecule::beginRigidBody(std::vector<RigidBody*>::iterator& i) { |
| 214 |
> |
RigidBody* beginRigidBody(std::vector<RigidBody*>::iterator& i) { |
| 215 |
|
i = rigidBodies_.begin(); |
| 216 |
|
return (i == rigidBodies_.end()) ? NULL : *i; |
| 217 |
|
} |
| 218 |
|
|
| 219 |
< |
RigidBody* Molecule::nextRigidBody(std::vector<RigidBody*>::iterator& i) { |
| 219 |
> |
RigidBody* nextRigidBody(std::vector<RigidBody*>::iterator& i) { |
| 220 |
|
++i; |
| 221 |
|
return (i == rigidBodies_.end()) ? NULL : *i; |
| 222 |
|
} |
| 223 |
|
|
| 224 |
< |
StuntDouble* Molecule::beginIntegrableObject(std::vector<StuntDouble*>::iterator& i) { |
| 224 |
> |
StuntDouble* beginIntegrableObject(std::vector<StuntDouble*>::iterator& i) { |
| 225 |
|
i = integrableObjects_.begin(); |
| 226 |
|
return (i == integrableObjects_.end()) ? NULL : *i; |
| 227 |
|
} |
| 228 |
|
|
| 229 |
< |
StuntDouble* Molecule::nextIntegrableObject(std::vector<StuntDouble*>::iterator& i) { |
| 229 |
> |
StuntDouble* nextIntegrableObject(std::vector<StuntDouble*>::iterator& i) { |
| 230 |
|
++i; |
| 231 |
|
return (i == integrableObjects_.end()) ? NULL : *i; |
| 232 |
|
} |
| 233 |
|
|
| 234 |
< |
CutoffGroup* Molecule::beginCutoffGroup(std::vector<CutoffGroup*>::iterator& i) { |
| 234 |
> |
CutoffGroup* beginCutoffGroup(std::vector<CutoffGroup*>::iterator& i) { |
| 235 |
|
i = cutoffGroups_.begin(); |
| 236 |
|
return (i == cutoffGroups_.end()) ? NULL : *i; |
| 237 |
|
} |
| 238 |
|
|
| 239 |
< |
CutoffGroup* Molecule::nextCutoffGroup(std::vector<CutoffGroup*>::iterator& i) { |
| 239 |
> |
CutoffGroup* nextCutoffGroup(std::vector<CutoffGroup*>::iterator& i) { |
| 240 |
|
++i; |
| 241 |
|
return (i == cutoffGroups_.end()) ? NULL : *i; |
| 242 |
|
} |
| 243 |
|
|
| 244 |
< |
ConstraintPair* Molecule::beginConstraintPair(std::vector<ConstraintPair*>::iterator& i) { |
| 244 |
> |
ConstraintPair* beginConstraintPair(std::vector<ConstraintPair*>::iterator& i) { |
| 245 |
|
i = constraintPairs_.begin(); |
| 246 |
|
return (i == constraintPairs_.end()) ? NULL : *i; |
| 247 |
|
} |
| 248 |
|
|
| 249 |
< |
ConstraintPair* Molecule::nextConstraintPair(std::vector<ConstraintPair*>::iterator& i) { |
| 249 |
> |
ConstraintPair* nextConstraintPair(std::vector<ConstraintPair*>::iterator& i) { |
| 250 |
|
++i; |
| 251 |
|
return (i == constraintPairs_.end()) ? NULL : *i; |
| 252 |
|
} |
| 253 |
|
|
| 254 |
< |
ConstraintElem* Molecule::beginConstraintElem(std::vector<ConstraintElem*>::iterator& i) { |
| 254 |
> |
ConstraintElem* beginConstraintElem(std::vector<ConstraintElem*>::iterator& i) { |
| 255 |
|
i = constraintElems_.begin(); |
| 256 |
|
return (i == constraintElems_.end()) ? NULL : *i; |
| 257 |
|
} |
| 258 |
|
|
| 259 |
< |
ConstraintElem* Molecule::nextConstraintElem(std::vector<ConstraintElem*>::iterator& i) { |
| 259 |
> |
ConstraintElem* nextConstraintElem(std::vector<ConstraintElem*>::iterator& i) { |
| 260 |
|
++i; |
| 261 |
|
return (i == constraintElems_.end()) ? NULL : *i; |
| 262 |
|
} |
| 276 |
|
/** Returns the velocity of center of mass of this molecule */ |
| 277 |
|
Vector3d getComVel(); |
| 278 |
|
|
| 279 |
– |
/** Returns the total mass of this molecule */ |
| 280 |
– |
double getTotalMass(); |
| 281 |
– |
|
| 279 |
|
friend std::ostream& operator <<(std::ostream& o, Molecule& mol); |
| 280 |
|
|
| 281 |
|
private: |
