Module gchemol::geom

Modules

• prelude
• random
  Generate 3D coordinates randomly

Structs

• AlignmentDeprecated
  Alignment of candidate structure onto the reference
• Superpose
  Superpose of candidate structure onto the reference
• Superposition
  The result of alignment defining how to superimpose.

Enums

• SuperpositionAlgo

Functions

• euclidean_distance
  Return Cartesian distance between two points in 3D space.
• weighted_center_of_geometry
  Return the weighted geometric center

Type Definitions

• Coord3
  Three-dimensional Cartesian coordinates
• Superimpose
  Alias name of Superpose