espaloma.mm.geometry

Functions

angle(x0, x1, x2)

Angle between three points.

apply_angle(nodes)

Angle values in nodes.

apply_bond(nodes)

Bond length in nodes.

apply_torsion(nodes)

Torsion dihedrals in nodes.

copy_src(src, out)

Copy source of an edge.

dihedral(x0, x1, x2, x3)

Dihedral between four points.

distance(x0, x1)

Distance.

geometry_in_graph(g)

Assign values to geometric entities in graphs.

reduce_stack(msg, out)

Copy massage and stack.

Classes

GeometryInGraph(*args, **kwargs)