| 40 |
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*/ |
| 41 |
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| 42 |
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#include "primitives/DirectionalAtom.hpp" |
| 43 |
< |
|
| 43 |
> |
#include "utils/simError.h" |
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namespace oopse { |
| 45 |
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|
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DirectionalAtom::DirectionalAtom(DirectionalAtomType* dAtomType) |
| 49 |
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if (dAtomType->isMultipole()) { |
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electroBodyFrame_ = dAtomType->getElectroBodyFrame(); |
| 51 |
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} |
| 52 |
+ |
|
| 53 |
+ |
//check if one of the diagonal inertia tensor of this directional atom is zero |
| 54 |
+ |
int nLinearAxis = 0; |
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+ |
Mat3x3d inertiaTensor = getI(); |
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+ |
for (int i = 0; i < 3; i++) { |
| 57 |
+ |
if (fabs(inertiaTensor(i, i)) < oopse::epsilon) { |
| 58 |
+ |
linear_ = true; |
| 59 |
+ |
linearAxis_ = i; |
| 60 |
+ |
++ nLinearAxis; |
| 61 |
+ |
} |
| 62 |
+ |
} |
| 63 |
+ |
|
| 64 |
+ |
if (nLinearAxis > 1) { |
| 65 |
+ |
sprintf( painCave.errMsg, |
| 66 |
+ |
"Directional Atom error.\n" |
| 67 |
+ |
"\tOOPSE found more than one axis in this directional atom with a vanishing \n" |
| 68 |
+ |
"\tmoment of inertia."); |
| 69 |
+ |
painCave.isFatal = 1; |
| 70 |
+ |
simError(); |
| 71 |
+ |
} |
| 72 |
+ |
|
| 73 |
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} |
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| 75 |
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Mat3x3d DirectionalAtom::getI() { |
