r""" Tests for class 'Eigneval' from module 'vaspio' """ import mytest import numpy as np from vaspio import Eigenval ################################################################################ # # TestEigenval # ################################################################################ class TestEigenval(mytest.MyTestCase): """ Function: def Eigenval.from_file(vasp_dir, eig_filename) Scenarios: - correct EIGENVAL file """ # Scenario 1 def test_example(self): filename = 'EIGENVAL.example' eigenval = Eigenval() eigenval.from_file(vasp_dir='./', eig_filename=filename) testout = 'EIGENVAL.example.out.test' with open(testout, 'w') as f: writeline = lambda s: f.write(s + '\n') writeprop = lambda pname: writeline("%s = %s"%(pname, eigenval.__dict__[pname])) writeprop('nq') writeprop('ispin') writeprop('nelect') writeprop('nktot') writeprop('nband') writeline("kpts:\n%s"%(eigenval.kpts)) writeline("kwghts:\n%s"%(eigenval.kwghts)) writeline("eigs:\n%s"%(eigenval.eigs)) expected = 'EIGENVAL.example.out' self.assertFileEqual(testout, expected)