dig.threedgraph.utils¶
Utilities under dig.threedgraph.utils
.
- xyz_to_dat(pos, edge_index, num_nodes, use_torsion=False)[source]¶
Compute the diatance, angle, and torsion from geometric information.
- Parameters
pos – Geometric information for every node in the graph.
edge_index – Edge index of the graph.
number_nodes – Number of nodes in the graph.
use_torsion – If set to
True
, will return distance, angle and torsion, otherwise only return distance and angle (also retrun some useful index). (default:False
)