Module geometry

Expand description

Geometrical objects and manipulations.

Structs§

CartesianConditions: Structure to handle inequality conditions written in terms of Cartesian coordinates.
SphericalConditions: Structure to handle inequality conditions written in terms of spherical angular coordinates.
SphericalConditionsBuilder: Builder for SphericalConditions.

ImproperRotationKind: Enumerated type to classify the type of improper rotation given an angle and axis.
PositiveHemisphere: Enumerated type to handle positive hemispheres in Cartesian or spherical conditions.
SphericalConditionsBuilderError: Error type for SphericalConditionsBuilder
SphericalCoordinate: Enumerated type to handle spherical angular coordinates.

check_regular_polygon: Checks if a sequence of atoms are vertices of a regular polygon.
check_standard_positive_pole: Check if a rotation axis is in the standard positive hemisphere.
get_proper_fraction: Determines the reduced fraction $k/n$ where $k$ and $n$ are both integers representing a proper rotation $C_n^k$ corresponding to a specified rotation angle.
get_standard_positive_pole: Returns the standard positive pole of a rotation axis.
improper_rotation_matrix: Returns a $3 \times 3$ transformation matrix in $\mathbb{R}^3$ corresponding to an improper rotation through angle about axis raised to the power power.
normalise_rotation_angle: Returns the rotation angle adjusted to be in the interval $(-\pi, +\pi]$ and the number of $2\pi$-folds required to bring the original angle to that interval.
normalise_rotation_fraction: Returns the rotation fraction adjusted to be in the interval $(-1/2, +1/2]$ and the number of $1$-folds required to bring the original fraction to that interval.
proper_rotation_matrix: Returns a $3 \times 3$ rotation matrix in $\mathbb{R}^3$ corresponding to a rotation through angle about axis raised to the power power.