| 3 | |
| 4 | |
| 5 | MBTR::MBTR(map<int,int> atomicNumberToIndexMap, int interactionLimit, vector<vector<int>> cellIndices) |
| 6 | : atomicNumberToIndexMap(atomicNumberToIndexMap) |
| 7 | , interactionLimit(interactionLimit) |
| 8 | , cellIndices(cellIndices) |
| 9 | { |
| 10 | } |
| 11 | |
| 12 | void MBTR::getK1(py::array_t<double> &descriptor, const vector<int> &Z, const string &geomFunc, const string &weightFunc, const map<string, double> ¶meters, double min, double max, double sigma, int n) |
| 13 | { |
nothing calls this directly
no outgoing calls
no test coverage detected