Struct sym_op

• Defined in File symmetry.hpp

Struct Documentation

struct sym_op

A class that encapsulates the symmetry operations as used in PDB files, i.e. a rotational number and a translation vector.

The syntax in string format follows the syntax as used in mmCIF files, i.e. rotational number followed by underscore and the three translations where 5 is no movement.

So the string 1_555 means no symmetry movement at all since the rotational number 1 always corresponds to the symmetry operation [x, y, z].

Public Functions

inline sym_op(uint8_t nr = 1, uint8_t ta = 5, uint8_t tb = 5, uint8_t tc = 5)

constructor

explicit sym_op(std::string_view s)

construct a sym_op based on the contents encoded in string s

inline bool is_identity() const

return true if this sym_op is the identity operator

inline explicit constexpr operator bool() const

quick test for unequal to identity

std::string string() const

return the content encoded in a string

inline bool operator==(const sym_op &rhs) const

a default equals operator

inline bool operator!=(const sym_op &rhs) const

a default not-equals operator