| AtomGrid(const MolData *mdata) | AtomGrid | |
| build(const MolData *mol_data) | AtomGrid | |
| findAtomBox(const double radius) const | AtomGrid | |
| get(const int i, const int j, const int k) const | AtomGrid | [inline] |
| get_cell(const int i, const int j, const int k) const | AtomGrid | [inline] |
| get_cijk(const Vector3D vv, int &i, int &j, int &k) const | AtomGrid | [inline] |
| get_cna() const | AtomGrid | [inline] |
| get_cnb() const | AtomGrid | [inline] |
| get_cnc() const | AtomGrid | [inline] |
| get_ijk(const Vector3D vv) const | AtomGrid | [inline] |
| get_na() const | AtomGrid | [inline] |
| get_nb() const | AtomGrid | [inline] |
| get_nc() const | AtomGrid | [inline] |
| get_xyz(const Vector3D ijk) const | AtomGrid | [inline] |
| get_xyz(const int i, const int j, const int k) const | AtomGrid | [inline] |
| print() | AtomGrid | |
| scramble_array(const int n) | AtomGrid | [static] |
| set(const int i, const int j, const int k) | AtomGrid | [inline] |
| store(char *fname) | AtomGrid | |
| wrap_xyz(const Vector3D xyz) const | AtomGrid | [inline] |
| ~AtomGrid() | AtomGrid | [inline] |
