OECrystalSymmetryParams
class OECrystalSymmetryParams
This class represents the OECrystalSymmetryParams class that stores crystal symmetry parameters:
standard cell lengths
cell angles ‘alpha’, ‘beta’ and ‘gamma’ and
spacegroup number
z-value
See also
OEGetCrystalSymmetryfunctionOESetCrystalSymmetryfunction
Constructors
OECrystalSymmetryParams() -> OECrystalSymmetryParams
Default constructor.
OECrystalSymmetryParams(a: float, b: float, c: float, alpha: float,
beta: float, gamma: float, sgnumber: int,
zvalue: int = 0) -> OECrystalSymmetryParams
Constructors an OECrystalSymmetryParams object with the given values.
GetA
GetA() -> float
GetAlpha
GetAlpha() -> float
GetB
GetB() -> float
GetBeta
GetBeta() -> float
GetC
GetC() -> float
GetGamma
GetGamma() -> float
GetSpaceGroup
GetSpaceGroup() -> int
GetZValue
GetZValue() -> int
SetA
SetA(a: float) -> None
SetAlpha
SetAlpha(alpha: float) -> None
SetB
SetB(b: float) -> None
SetBeta
SetBeta(beta: float) -> None
SetC
SetC(c: float) -> None
SetGamma
SetGamma(gamma: float) -> None
SetSpaceGroup
SetSpaceGroup(sgnumber: int) -> None
SetZValue
SetZValue(zvalue: int) -> None