law rmsd_single

bend-prot@0.1.0.0 · LAWS.bend:236

import Base
import bend-prot@0.1.0.0/geom.bend as G
import bend-prot@0.1.0.0/protein.bend as P
import bend-prot@0.1.0.0/rmsd.bend as R

236# A singleton is at the RMSD its one pair distance dictates.
237law rmsd_single:
238  for s: U32
239  for e: U32
240  for x: F32
241  for y: F32
242  for z: F32
243  {R.rmsd([P.Atom{s, e, G.V3{x, y, z}}], [P.Atom{s, e, G.V3{x, y, z}}]) == F32.sqrt(((G.Vec3.dist2(G.V3{x, y, z}, G.V3{x, y, z}) + 0.0 : F32) / F32.from_nat(1n) : F32)) : F32}