| 7 | #include "Vec3D.h" |
| 8 | |
| 9 | struct ExamplePrediction : public Example |
| 10 | { |
| 11 | std::string pathData; |
| 12 | |
| 13 | double energy; |
| 14 | std::vector<nnp::Vec3D> forces; |
| 15 | |
| 16 | ExamplePrediction(); |
| 17 | |
| 18 | ExamplePrediction(std::string name) : |
| 19 | pathData("../../examples/nnp-predict") |
| 20 | { |
| 21 | this->name = name; |
| 22 | this->description = std::string("Prediction example \"") |
| 23 | + this->name |
| 24 | + "\""; |
| 25 | this->pathData += "/" + this->name; |
| 26 | } |
| 27 | }; |
| 28 | |
| 29 | template<> |
| 30 | void BoostDataContainer<ExamplePrediction>::setup() |