func (e newStyle) StructureBow(lib fragbag.StructureLibrary) bow.Bow {
bag := bow.NewBow(lib.Size())
for _, chain := range e.Chains {
for _, model := range chain.Models {
bag = bag.Add(bow.StructureBow(lib, model.CaAtoms()))
}
}
return bag
}
func (fmap *FragmentMap) StructureBow(lib fragbag.StructureLibrary) bow.Bowed {
bag := bow.NewBow(lib.Size())
for _, fragGroup := range fmap.Segments {
for _, frag := range fragGroup.Frags {
bag = bag.Add(bow.StructureBow(lib, frag.CaAtoms))
}
}
return bow.Bowed{Id: fmap.Name, Bow: bag}
}
func (e oldStyle) StructureBow(lib fragbag.StructureLibrary) bow.Bow {
smushed := make([]structure.Coords, 0)
for _, chain := range e.Chains {
for _, model := range chain.Models {
smushed = append(smushed, model.CaAtoms()...)
}
}
return bow.StructureBow(lib, smushed)
}