func bmean(row1, row2 []bow.Bow) (bow.Bow, bow.Bow) {
m1, m2 := bow.NewBow(row1[0].Len()), bow.NewBow(row2[0].Len())
if m1.Len() != m2.Len() {
panic("bow lengths don't match")
}
for _, b1 := range row1 {
for c := range b1.Freqs {
m1.Freqs[c] += b1.Freqs[c]
}
}
for c := range m1.Freqs {
m1.Freqs[c] /= float32(len(row1))
}
for _, b2 := range row2 {
for c := range b2.Freqs {
m2.Freqs[c] += b2.Freqs[c]
}
}
for c := range m2.Freqs {
m2.Freqs[c] /= float32(len(row2))
}
return m1, m2
}
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 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 readVectors(fpath string) map[string]bow.Bow {
f := util.OpenFile(fpath)
defer f.Close()
bows := make(map[string]bow.Bow, 5000)
for _, line := range util.ReadLines(f) {
fields := strings.Fields(line)
b := bow.NewBow(len(fields[1:]))
for _, sfreq := range fields[1:] {
freq, err := strconv.ParseFloat(sfreq, 32)
util.Assert(err)
b.Freqs = append(b.Freqs, float32(freq))
}
bows[fields[0]] = b
}
return bows
}