58 |
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* @class DataStorage |
59 |
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* @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 |
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* which will make it easy to maintain |
63 |
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*/ |
64 |
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class DataStorage { |
72 |
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dslElectroFrame = 16, |
73 |
|
dslZAngle = 32, |
74 |
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dslForce = 64, |
75 |
< |
dslTorque = 128 |
75 |
> |
dslTorque = 128, |
76 |
> |
dslParticlePot = 256 |
77 |
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}; |
78 |
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79 |
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|
80 |
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DataStorage(); |
81 |
< |
DataStorage(int size, int storageLayout = 255); |
81 |
> |
DataStorage(int size, int storageLayout = 511); |
82 |
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/** return the size of this DataStorage. */ |
83 |
|
int getSize(); |
84 |
|
/** |
116 |
|
std::vector<RealType> zAngle; /** z -angle array */ |
117 |
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std::vector<Vector3d> force; /** force array */ |
118 |
|
std::vector<Vector3d> torque; /** torque array */ |
119 |
+ |
std::vector<RealType> particlePot; /** pair potential arrray */ |
120 |
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|
121 |
|
static int getBytesPerStuntDouble(int layout); |
122 |
|
|
126 |
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|
127 |
|
RealType* internalGetArrayPointer(std::vector<RotMat3x3d>& v); |
128 |
|
RealType* internalGetArrayPointer(std::vector<RealType>& v); |
129 |
+ |
|
130 |
|
|
131 |
|
template<typename T> |
132 |
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void internalResize(std::vector<T>& v, int newSize); |