func main() {
masses := []spectrum.Mass{}
scanner := bufio.NewScanner(os.Stdin)
for scanner.Scan() {
m, err := spectrum.ParseMass(scanner.Text())
if err != nil {
log.Fatal(err)
}
masses = append(masses, m)
}
if err := scanner.Err(); err != nil {
log.Fatal(err)
}
spec, err := spectrum.New(masses[1:])
if err != nil {
log.Fatal(err)
}
p, ok := spec.Protein()
if ok {
fmt.Println(p)
} else {
log.Fatal("Protein not found")
}
}
func TestFullSpectrum(t *testing.T) {
rand.Seed(1)
aa := []byte{}
for a := range spectrum.MonoisotopicMass {
if a == 'L' {
continue
}
aa = append(aa, a)
}
for k := 0; k < 100; k++ {
n := MinLen + rand.Intn(MaxLen-MinLen+1)
prot := make([]byte, n)
for i := 0; i < n; i++ {
j := rand.Intn(len(aa))
prot[i] = aa[j]
}
protStr := string(prot)
w1 := spectrum.Mass(500 + 500*rand.Float64())
w2 := spectrum.Mass(500 + 500*rand.Float64())
masses := []spectrum.Mass{}
for i := 0; i <= len(prot); i++ {
m1 := w1
for j := 0; j < i; j++ {
m1 += spectrum.MonoisotopicMass[prot[j]]
}
m2 := w2
for j := i; j < len(prot); j++ {
m2 += spectrum.MonoisotopicMass[prot[j]]
}
masses = append(masses, m1, m2)
}
// Shuffle.
for i := 0; i < len(masses)-1; i++ {
j := rand.Intn(len(masses) - i)
masses[i], masses[i+j] = masses[i+j], masses[i]
}
sortedMasses := make([]spectrum.Mass, len(masses))
copy(sortedMasses, masses)
sort.Sort(spectrum.MassSlice(sortedMasses))
spec, err := spectrum.New(masses)
if err != nil {
t.Fatalf("Unexpected error: %v", err)
}
q, ok := spec.Protein()
if !ok {
t.Errorf("No protein found for %v; expected %s", masses, protStr)
} else if q != protStr && q != reversed(protStr) {
t.Errorf("Found protein %s; expected %s / %v", q, protStr, masses)
}
}
}
func main() {
prots, masses, err := readInput(os.Stdin)
if err != nil {
log.Fatal(err)
}
db := []*spectrum.Spectrum{}
for _, pr := range prots {
s, err := spectrum.FromProtein(pr)
if err != nil {
log.Fatal(err)
}
db = append(db, s)
}
spec, err := spectrum.New(masses)
if err != nil {
log.Fatal(err)
}
best := 0
which := ""
for _, dbSpec := range db {
pr := dbSpec.Source
conv := spec.Convolution(dbSpec)
m, k := conv.Max()
_ = m
//fmt.Println(pr)
//fmt.Println(k, m)
if k > best {
best = k
which = pr
}
}
fmt.Println(best)
fmt.Println(which)
}
