happy-ferret / cif Goto Github PK

package main

import (
	"fmt"
	"log"
	"strings"

	"github.com/BurntSushi/cif"
)

func main() {
	data := `#\\#CIF_1.1
data_1CTF
_entry.id  1CTF
loop_
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
1  ALA
2  ALA
3  GLU
4  GLU
5  LYS
`
	cif, err := cif.Read(strings.NewReader(data))
	if err != nil {
		log.Fatal(err)
	}

	block := cif.Blocks["1ctf"] // all items are stored in lowercase
	fmt.Printf("%s\n", block.Name)

	// You can retrieve a loop by using any of the data tags defined in
	// the loop.
	loop := block.Loops["entity_poly_seq.num"]

	// While using the same key twice may seem redundant, this approach
	// guarantees that you're selecting values from precisely the same table.
	// Also, loop.Get is guaranteed to return a []string, []int or []float64.
	seqNums := loop.Get("entity_poly_seq.num").Ints()
	residues := loop.Get("entity_poly_seq.mon_id").Strings()

	// If the access methods fail, then nil is returned.
	if seqNums == nil {
		log.Fatal("Could not read sequence numbers as integers.")
	}
	if residues == nil {
		log.Fatal("Could not read residues as strings.")
	}

	// All columns in a table are guaranteed by Read to have the same length.
	for i := 0; i < len(seqNums); i++ {
		fmt.Printf("%d %s\n", seqNums[i], residues[i])
	}
	// Output:
	// 1ctf
	// 1 ALA
	// 2 ALA
	// 3 GLU
	// 4 GLU
	// 5 LYS
}