| 58 |
|
* @class DataStorage |
| 59 |
|
* @warning do not try to insert element into (or ease element from) private member data |
| 60 |
|
* of DataStorage directly. |
| 61 |
< |
* @todo DataStorage may need refactorying. Every std::vector can inherit from the same base class |
| 61 |
> |
* @todo DataStorage may need refactoring. Every std::vector can inherit from the same base class |
| 62 |
|
* which will make it easy to maintain |
| 63 |
|
*/ |
| 64 |
|
class DataStorage { |
| 72 |
|
dslElectroFrame = 16, |
| 73 |
|
dslZAngle = 32, |
| 74 |
|
dslForce = 64, |
| 75 |
< |
dslTorque = 128 |
| 75 |
> |
dslTorque = 128, |
| 76 |
> |
dslParticlePot = 256 |
| 77 |
|
}; |
| 78 |
|
|
| 79 |
|
|
| 80 |
|
DataStorage(); |
| 81 |
< |
DataStorage(int size, int storageLayout = 255); |
| 81 |
> |
DataStorage(int size, int storageLayout = 511); |
| 82 |
|
/** return the size of this DataStorage. */ |
| 83 |
|
int getSize(); |
| 84 |
|
/** |
| 116 |
|
std::vector<RealType> zAngle; /** z -angle array */ |
| 117 |
|
std::vector<Vector3d> force; /** force array */ |
| 118 |
|
std::vector<Vector3d> torque; /** torque array */ |
| 119 |
+ |
std::vector<RealType> particlePot; /** pair potential arrray */ |
| 120 |
|
|
| 121 |
|
static int getBytesPerStuntDouble(int layout); |
| 122 |
|
|
| 126 |
|
|
| 127 |
|
RealType* internalGetArrayPointer(std::vector<RotMat3x3d>& v); |
| 128 |
|
RealType* internalGetArrayPointer(std::vector<RealType>& v); |
| 129 |
+ |
|
| 130 |
|
|
| 131 |
|
template<typename T> |
| 132 |
|
void internalResize(std::vector<T>& v, int newSize); |