sknano.core.crystallography.Reciprocal3DLattice¶
-
class
sknano.core.crystallography.
Reciprocal3DLattice
(a_star=None, b_star=None, c_star=None, alpha_star=None, beta_star=None, gamma_star=None, b1=None, b2=None, b3=None, cell_matrix=None, orientation_matrix=None, offset=None)[source][source]¶ 3D reciprocal lattice class.
Parameters: a_star, b_star, c_star : float
alpha_star, beta_star, gamma_star : float
b1, b2, b3 : array_like
cell_matrix : array_like
orientation_matrix : array_like
Attributes
a1
3D lattice vector a1=a. a2
3D lattice vector a2=b. a3
3D lattice vector a3=c. a_star
Length of lattice vector a∗. alpha_star
Angle between lattice vectors b∗ and c∗ in degrees. angles
Tuple of lattice parameter angles α∗,β∗,γ∗. b1
Lattice vector b1=a∗. b2
Lattice vector b2=b∗. b3
Lattice vector b3=c∗. b_star
Length of lattice_vector b∗. beta_star
Angle between lattice vectors c∗ and a∗ in degrees. c_star
Length of lattice vector c∗. cell_matrix
Matrix of lattice row vectors. cos_alpha
cosα cos_alpha_star
cosα∗ cos_beta
cosβ cos_beta_star
cosβ∗ cos_gamma
cosγ cos_gamma_star
cosγ∗ fmtstr
Format string. fractional_matrix
Transformation matrix to convert from cartesian coordinates to fractional coordinates. gamma_star
Angle between lattice vectors a∗ and b∗ in degrees. lattice_parameters
Tuple of lattice parameters a^*, b^*, c^*, alpha^*, beta^*, gamma^*. lattice_vectors
Tuple of lattice vectors b1,b2,b3. lengths
Tuple of lattice vector lengths a∗,b∗,c∗. matrix
Alias for cell_matrix
.metric_tensor
Metric tensor. reciprocal_lattice
Reciprocal lattice of this Reciprocal3DLattice
.sin_alpha
sinα sin_alpha_star
sinα∗ sin_beta
sinβ sin_beta_star
sinβ∗ sin_gamma
sinγ sin_gamma_star
sinγ∗ Methods
cartesian_to_fractional
(ccoords)Convert cartesian coordinate to fractional coordinate. cubic
(a_star)Generate a cubic 3D lattice with lattice parameter a∗. fractional_to_cartesian
(fcoords)Convert fractional coordinate to cartesian coordinate. hexagonal
(a_star, c_star)Generate a hexagonal 3D lattice with lattice parameters a∗,c∗. monoclinic
(a_star, b_star, c_star, beta_star)Generate a monoclinic 3D lattice with lattice parameters a∗,b∗,c∗,β∗. orthorhombic
(a_star, b_star, c_star)Generate an orthorhombic 3D lattice with lattice parameters a∗,b∗,c∗. rotate
([angle, axis, anchor_point, ...])Rotate unit cell. tetragonal
(a_star, c_star)Generate a tetragonal 3D lattice with lattice parameters a∗,c∗. todict
()Return dict of Reciprocal3DLattice
parameters.translate
(t)Translate lattice. triclinic
(a_star, b_star, c_star, ...)Generate a triclinic 3D lattice with lattice parameters a∗,b∗,c∗,α∗,β∗,γ∗. wrap_cartesian_coordinate
(p[, pbc])Wrap cartesian coordinate to lie within unit cell. wrap_fractional_coordinate
(p[, epsilon, pbc])Wrap fractional coordinate to lie within unit cell.