Source code for defermi.tools.testing.defects

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

@author: villa
"""
from .core import DefermiTest
from .structure import StructureTest




class DefectTest(DefermiTest):
    """
    Provides methods to test Defect objects
    """


    def assert_Defect_equal(self,defect1,defect2):
        StructureTest().assert_Site_equal(defect1.site,defect2.site)
        StructureTest().assert_Structure_equal(defect1.bulk_structure,defect2.bulk_structure)
        self.assertEqual(defect1.charge,defect2.charge)
        self.assertEqual(defect1.multiplicity,defect2.multiplicity)
        self.assertEqual(defect1.label,defect2.label)


        
        


class DefectEntryTest(DefermiTest):
    """
    Provides methods to test DefectEntry objects
    """


    def assert_DefectEntry_equal(self,entry1,entry2):
        DefectTest().assert_Defect_equal(entry1.defect,entry2.defect)
        StructureTest().assert_Structure_equal(entry1.bulk_structure,entry2.bulk_structure)
        self.assertEqual(entry1.energy_diff,entry2.energy_diff)
        self.assertEqual(entry1.corrections,entry2.corrections)
        self.assertEqual(entry1.data,entry2.data)