OEAnisoUij

class OECHEM_API OEAnisoUij

The OEAnisoUij class is a simple container used to package anisotropic B-factor parameters that can be associated with an OEAtomBase object. Using one can make accessing Uij values easier in wrapped languages.

Constructors

OEAnisoUij()
OEAnisoUij(int u11, int u22, int u33, int u12, int u13, int u23)

Default constructor (which sets all parameters to 0) and constructor that takes specific values for each parameter.

GetU11

int GetU11() const

GetU12

int GetU12() const

GetU13

int GetU13() const

GetU22

int GetU22() const

GetU23

int GetU23() const

GetU33

int GetU33() const

SetU11

void SetU11(int val)

SetU12

void SetU12(int val)

SetU13

void SetU13(int val)

SetU22

void SetU22(int val)

SetU23

void SetU23(int val)

SetU33

void SetU33(int val)