| 28 | } |
| 29 | |
| 30 | void DescriptorLocal::create( |
| 31 | py::array_t<double> out, |
| 32 | py::array_t<double> positions, |
| 33 | py::array_t<int> atomic_numbers, |
| 34 | py::array_t<double> cell, |
| 35 | py::array_t<bool> pbc, |
| 36 | py::array_t<double> centers |
| 37 | ) |
| 38 | { |
| 39 | // Extend system if periodicity is requested. |
| 40 | auto pbc_u = pbc.unchecked<1>(); |
| 41 | bool is_periodic = this->periodic && (pbc_u(0) || pbc_u(1) || pbc_u(2)); |
| 42 | if (is_periodic) { |
| 43 | ExtendedSystem system_extended = extend_system(positions, atomic_numbers, cell, pbc, this->cutoff); |
| 44 | positions = system_extended.positions; |
| 45 | atomic_numbers = system_extended.atomic_numbers; |
| 46 | } |
| 47 | this->create(out, positions, atomic_numbers, centers); |
| 48 | } |
| 49 | |
| 50 | void DescriptorLocal::create( |
| 51 | py::array_t<double> out, |
no test coverage detected