3
0
mirror of https://github.com/triqs/dft_tools synced 2024-06-29 08:24:54 +02:00
dft_tools/python/vasp/test/_vaspio/test_doscar.py

33 lines
742 B
Python
Raw Normal View History

r"""
Tests for class 'Doscar' from module 'vaspio'
"""
import mytest
import numpy as np
from vaspio import Doscar
################################################################################
#
# TestDoscar
#
################################################################################
class TestDoscar(mytest.MyTestCase):
"""
Function:
def Doscar.from_file(vasp_dir, dos_filename)
Scenarios:
- correct DOSCAR file
"""
# Scenario 1
def test_example(self):
filename = 'DOSCAR.example'
doscar = Doscar()
doscar.from_file(vasp_dir='./', dos_filename=filename)
test_efermi = doscar.efermi
expected = 5.84395237
self.assertAlmostEqual(test_efermi, expected)