| 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 |
|
|
| 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()); |
