from ATK.KohnSham import *

TAB = "\t"

def printAtomsInBulk(bulkSample):
    for (atom,pos) in zip(bulkSample.elements(), bulkSample.cartesianCoordinates()): 
        print atom.symbol(), TAB,
        for i in range( len(pos) ):
            print pos[i].inUnitsOf(Ang), TAB,
        print

def printLatticeVectors(lattice):
    for vector in lattice.primitiveVectors():
        for i in range( len(vector) ):
            print vector[i].inUnitsOf(Ang), TAB,
        print

def printBulkConfig(bulkSample):
    print "\nPrimitive vectors (in Angstrom)"
    printLatticeVectors(bulkSample.bravaisLattice())
    print "\nAtom list (positions in Angstrom)"
    printAtomsInBulk(bulkSample)
    print