Source code for defermi.tools.testing.structure

#!/usr/bin/env python3
# -*- coding: utf-8 -*-
"""
Created on Thu May 11 16:33:19 2023

@author: villa
"""

import unittest
from numpy.testing import assert_array_almost_equal




class StructureTest(unittest.TestCase):
    """
    Provides methods to test pymatgen Structure objects
    """


    def assert_Site_equal(self,site1,site2,decimal=3):
        assert_array_almost_equal(site1.frac_coords,site2.frac_coords,decimal=decimal)
        self.assertEqual(site1.specie.symbol,site2.specie.symbol)

        


    def assert_Lattice_equal(self,lattice1,lattice2):
        assert_array_almost_equal(lattice1,lattice2)

        


    def assert_Structure_equal(self,structure1,structure2):
        if len(structure1) != len(structure2):
            raise AssertionError
        else:
            for i in range(0,len(structure1)):
                self.assert_Site_equal(structure1[i], structure2[i])