| 37 |
|
#include "utils/MemoryUtils.hpp" |
| 38 |
|
|
| 39 |
|
namespace oopse { |
| 40 |
+ |
Molecule::Molecule(int stampId, int globalIndex, const std::string& molName) |
| 41 |
+ |
: stampId_(stampId), globalIndex_(globalIndex), moleculeName_(molName) { |
| 42 |
|
|
| 43 |
+ |
} |
| 44 |
+ |
|
| 45 |
|
Molecule::~Molecule() { |
| 46 |
|
|
| 47 |
|
MemoryUtils::deleteVectorOfPointer(atoms_); |
| 112 |
|
//element that is contained in [allAtoms.begin(), allAtoms.end()) and not contained in |
| 113 |
|
//[rigidAtoms.begin(), rigidAtoms.end()). |
| 114 |
|
std::set_difference(allAtoms.begin(), allAtoms.end(), rigidAtoms.begin(), rigidAtoms.end(), |
| 115 |
< |
std::back_inserter(integrableObjects_)); |
| 115 |
> |
std::back_inserter(integrableObjects_.end())); |
| 116 |
|
|
| 117 |
|
if (integrableObjects_.size() != allAtoms.size() - rigidAtoms.size()) { |
| 118 |
|
//Some atoms in rigidAtoms are not in allAtoms, something must be wrong |
| 119 |
+ |
sprintf(painCave.errMsg, "Atoms in rigidbody are not in the atom list of the same molecule"); |
| 120 |
+ |
|
| 121 |
+ |
painCave.isFatal = 1; |
| 122 |
+ |
simError(); |
| 123 |
|
} |
| 124 |
|
|
| 125 |
|
integrableObjects_.insert(integrableObjects_.end(), rigidBodies_.begin(), rigidBodies_.end()); |
