Struct SymmetryData¶

Defined in File symmetry.h

Struct Documentation¶

struct SymmetryData¶

Static data structure containing point group database and symmetry information.

This struct provides access to comprehensive point group data including symmetry operation counts, subgroup relationships, and point group classifications. All members are static constants or arrays initialized at compile time.

Public Static Attributes

static const int max_pgs = 57¶: Maximum number of supported point groups

static const int max_subgroups = 406¶: Maximum number of subgroup relationships

static std::array<std::string, max_pgs> pgsymb¶: Point group symbols (extended form)

static std::array<std::array<int, 2>, max_pgs> nsgb¶: Subgroup boundary indices for each point group

static std::array<int, max_subgroups> nsgr¶: Subgroup relationship indices

static const std::array<std::string, max_pgs> sg¶: Point group symbols (short form)

static const std::array<std::array<int, 6>, max_pgs> ng¶: Symmetry operation counts: [order, inversion, planes, proper_rotations, improper_rotations, principal_axis]

static const std::array<std::string, max_pgs> cg¶: Point group descriptions and generator information