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] |