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rmsd.bend checks

raw source on the hub · import 0xdf198d67659100c90a58ecd6b01d034d/rmsd.bend as Rmsd

4 imports
import Base
import ./geom.bend as G
import ./protein.bend as P
import ./topology.bend as T

Definitions

def pair_head_go source · line 11 · raw

@+p1:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @y:0xdf198d67659100c90a58ecd6b01d034d/protein.Atom -> @rest:Pair(F32, Nat) -> Pair(F32, Nat)

def pair_head source · line 16 · raw

@x:0xdf198d67659100c90a58ecd6b01d034d/protein.Atom -> @y:0xdf198d67659100c90a58ecd6b01d034d/protein.Atom -> @rest:Pair(F32, Nat) -> Pair(F32, Nat)

def pair_sumd2 source · line 21 · raw

@xs:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @ys:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> Pair(F32, Nat)

def rmsd source · line 32 · raw

@xs:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @ys:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> F32

def rmsd_checked_go source · line 36 · raw

@ok:Bool -> @+xs:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @+ys:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> Maybe<&2, F32>

Length-checked RMSD: None{} on unequal lengths, Some{...} otherwise.

def rmsd_checked source · line 45 · raw

@+xs:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @+ys:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> Maybe<&2, F32>

def rmsd_against source · line 50 · raw

@+q:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @h:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> F32

def rmsd_to_all source · line 53 · raw

@+q:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @ys:List<&2, List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom>> -> List<&2, F32>

def rmsd_matrix source · line 62 · raw

@+xs:List<&2, List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom>> -> @+all:List<&2, List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom>> -> List<&2, List<&2, F32>>

def rmsd_matrix_of source · line 71 · raw

@+ens:List<&2, List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom>> -> List<&2, List<&2, F32>>