| 41 |
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*/ |
| 42 |
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|
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#include "primitives/DirectionalAtom.hpp" |
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+ |
#include "types/DirectionalAdapter.hpp" |
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+ |
#include "types/MultipoleAdapter.hpp" |
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#include "utils/simError.h" |
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namespace OpenMD { |
| 48 |
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|
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< |
DirectionalAtom::DirectionalAtom(DirectionalAtomType* dAtomType) |
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< |
: Atom(dAtomType){ |
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> |
DirectionalAtom::DirectionalAtom(AtomType* dAtomType) |
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> |
: Atom(dAtomType) { |
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objType_= otDAtom; |
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< |
if (dAtomType->isMultipole()) { |
| 53 |
< |
electroBodyFrame_ = dAtomType->getElectroBodyFrame(); |
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> |
|
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> |
DirectionalAdapter da = DirectionalAdapter(dAtomType); |
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> |
I_ = da.getI(); |
| 55 |
> |
|
| 56 |
> |
MultipoleAdapter ma = MultipoleAdapter(dAtomType); |
| 57 |
> |
if (ma.isMultipole()) { |
| 58 |
> |
electroBodyFrame_ = ma.getElectroBodyFrame(); |
| 59 |
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} |
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< |
|
| 60 |
> |
|
| 61 |
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// Check if one of the diagonal inertia tensor of this directional |
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// atom is zero: |
| 63 |
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int nLinearAxis = 0; |
| 81 |
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} |
| 82 |
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|
| 83 |
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Mat3x3d DirectionalAtom::getI() { |
| 84 |
< |
return static_cast<DirectionalAtomType*>(getAtomType())->getI(); |
| 84 |
> |
return I_; |
| 85 |
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} |
| 86 |
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|
| 87 |
|
void DirectionalAtom::setPrevA(const RotMat3x3d& a) { |
