Esempio n. 1
0
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
}
Esempio n. 2
0
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}
}
Esempio n. 3
0
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)
}