fixing unit tests

tests/unit/data/test_calculation_code.py

@@ -2,7 +2,7 @@
 Test calculation code module
 in data folder
 """
-from minushalf.data import CalculationCode
+from minushalf.data.calculation_code import CalculationCode
 
 
 def test_calculation_code():

tests/unit/data/test_constants.py

@@ -2,7 +2,7 @@
 Test constants
 """
 import numpy as np
-from minushalf.data import Constants
+from minushalf.data.constants import Constants
 
 
 def test_pi():

tests/unit/data/test_correction_code.py

@@ -2,7 +2,7 @@
 Test correction code module
 in data folder
 """
-from minushalf.data import CorrectionCode
+from minushalf.data.correction_code import CorrectionCode
 
 
 def test_correction_code():

tests/unit/data/test_cut_initial_guess_methods.py

@@ -1,7 +1,7 @@
 """
 Test the methods available to give cut initial gesses
 """
-from minushalf.data import CutInitialGuessMethods
+from minushalf.data.cut_initial_guess_methods import CutInitialGuessMethods
 
 
 def test_cut_initial_guess():

tests/unit/data/test_electronic_distribution.py

@@ -2,7 +2,7 @@
 Test eletronic distribution database
 """
 from collections import Counter
-from minushalf.data import ElectronicDistribution
+from minushalf.data.electronic_distribution import ElectronicDistribution
 
 
 def test_electronic_distribution_h(file_path):

tests/unit/data/test_exchange_correlation.py

@@ -2,7 +2,7 @@
 Test exchange correlation module
 in data folder
 """
-from minushalf.data import ExchangeCorrelation
+from minushalf.data.exchange_correlation import ExchangeCorrelation
 
 
 def test_exchange_correlation():

tests/unit/data/test_minushalf_yaml_default_configuration.py

@@ -2,7 +2,7 @@
 test minushalf_yaml_default_configuration module
 """
 import numpy as np
-from minushalf.data import (
+from minushalf.data.minushalf_yaml_default_configuration import (
     VaspDefaultParams,
     CorrectionDefaultParams,
     AtomicProgramDefaultParams,

tests/unit/data/test_orbital.py

@@ -1,7 +1,7 @@
 """
 Test Obital and OrbitalType classes
 """
-from minushalf.data import Orbital, OrbitalType
+from minushalf.data.orbital import Orbital, OrbitalType
 
 
 def test_orbital():

tests/unit/data/test_periodic_table.py

@@ -1,7 +1,7 @@
 """
 Test periodic table
 """
-from minushalf.data import PeriodicTable
+from minushalf.data.periodic_table import PeriodicTable
 
 
 def test_periodic_table():

tests/unit/data/test_softwares.py

@@ -2,7 +2,7 @@
 Test software module
 in data folder
 """
-from minushalf.data import Softwares
+from minushalf.data.softwares import Softwares
 
 
 def test_softwares():

tests/unit/io/test_atomic_program.py

@@ -1,7 +1,7 @@
 """
 Test atomic program input class
 """
-from minushalf.io import AtomicProgram
+from minushalf.io.atomic_program import AtomicProgram
 
 
 def test_default_parameters():

tests/unit/io/test_correction.py

@@ -2,7 +2,7 @@
 Test correction input class
 """
 import numpy as np
-from minushalf.io import Correction, correction
+from minushalf.io.correction import Correction
 
 
 def test_default_parameters():

tests/unit/io/test_input_file.py

@@ -3,8 +3,9 @@
 """
 import pytest
 import numpy as np
-from minushalf.data import ElectronicDistribution, PeriodicTable
-from minushalf.io import InputFile
+from minushalf.data.electronic_distribution import ElectronicDistribution
+from minushalf.data.periodic_table import PeriodicTable
+from minushalf.io.input_file import InputFile
 
 
 def test_minimum_setup(file_path):

tests/unit/io/test_make_minushalf_results.py

@@ -3,7 +3,7 @@
 in utils
 """
 import os
-from minushalf.io import make_minushalf_results
+from minushalf.io.make_minushalf_results import make_minushalf_results
 
 
 def test_only_valence_cuts(file_path):

tests/unit/io/test_minushalf_yaml.py

@@ -3,8 +3,8 @@
 the input file for the execute command
 """
 import pytest
-from minushalf.io import MinushalfYaml
-from minushalf.data import (Softwares)
+from minushalf.io.minushalf_yaml import MinushalfYaml
+from minushalf.data.softwares import (Softwares)
 
 
 def test_default_parameters():

tests/unit/io/test_software_configurations.py

@@ -1,7 +1,7 @@
 """
 Test software configurations input class
 """
-from minushalf.io import SoftwareConfigurations
+from minushalf.io.software_configurations import SoftwareConfigurations
 
 
 def test_default_parameters():

tests/unit/io/test_vtotal.py

@@ -2,7 +2,7 @@
 Test Vtotal class
 """
 import numpy as np
-from minushalf.io import Vtotal
+from minushalf.io.vtotal import Vtotal
 
 
 def test_vtotal_cl(file_path):

tests/unit/softwares/test_vasp_factory.py

@@ -4,8 +4,10 @@
 from yaml import compose_all
 from minushalf import commands
 import numpy as np
-from minushalf.softwares.vasp import Procar, Potcar, VaspRunner
-from minushalf.softwares import Vasp
+from minushalf.softwares.vasp.procar import Procar
+from minushalf.softwares.vasp.potcar import Potcar
+from minushalf.softwares.vasp.runner import VaspRunner
+from minushalf.softwares.vasp_factory import Vasp
 
 
 def test_get_atoms_map(file_path):

tests/unit/softwares/vasp/test_eigenvalues_module.py

@@ -3,7 +3,7 @@
 The functions in this file obey the following rules:
 test_(what the function is meant to do)_(chemical compound)
 """
-from minushalf.softwares.vasp import Eigenvalues
+from minushalf.softwares.vasp.eigenval import Eigenvalues
 
 
 def test_parse_eigenvalues_gan_3d(file_path):

tests/unit/softwares/vasp/test_outcar_module.py

@@ -5,7 +5,7 @@
 """
 import pytest   
 import numpy as np
-from minushalf.softwares.vasp import Outcar
+from minushalf.softwares.vasp.outcar import Outcar
 
 
 def test_parse_distances_gan_3d(file_path):

tests/unit/softwares/vasp/test_potcar.py

@@ -2,7 +2,7 @@
 Test Potcar class
 """
 import numpy as np
-from minushalf.softwares.vasp import Potcar
+from minushalf.softwares.vasp.potcar import Potcar
 
 
 def test_potcar_ag(file_path):

tests/unit/softwares/vasp/test_procar_module.py

@@ -5,7 +5,7 @@
 """
 import pytest
 import numpy as np
-from minushalf.softwares.vasp import Procar
+from minushalf.softwares.vasp.procar import Procar
 
 
 def test_parse_procar_header_gan_3d(file_path):

tests/unit/softwares/vasp/test_vasp_runner.py

@@ -3,7 +3,7 @@
 """
 import subprocess
 from unittest import mock
-from minushalf.softwares.vasp import VaspRunner
+from minushalf.softwares.vasp.runner import VaspRunner
 
 
 def test_with_number_of_cores_1():

tests/unit/softwares/vasp/test_vasprun_module.py

@@ -4,7 +4,7 @@
 test_(what the function is meant to do)_(chemical compound)
 """
 import numpy as np
-from minushalf.softwares.vasp import Vasprun
+from minushalf.softwares.vasp.vasprun import Vasprun
 
 
 def test_vasprun_parser_for_fermi_energy_and_atoms_gan_3d(file_path):

tests/unit/utils/test_band_structure_module.py

@@ -4,9 +4,11 @@
 test_(what the function is meant to do)_(chemical compound)
 """
 import numpy as np
-from minushalf.utils import BandStructure
-from minushalf.softwares.vasp import Procar, Vasprun, Eigenvalues
-from minushalf.softwares import Vasp
+from minushalf.utils.band_structure import BandStructure
+from minushalf.softwares.vasp.procar import Procar
+from minushalf.softwares.vasp.eigenval import Eigenvalues
+from minushalf.softwares.vasp_factory import Vasp
+from minushalf.softwares.vasp.vasprun import Vasprun
 
 
 def test_is_metal_gan_3d(file_path):

tests/unit/utils/test_check_file_exists.py

@@ -2,7 +2,7 @@
 Test to check if file exists
 """
 import pytest
-from minushalf.utils import (
+from minushalf.utils.check_file_exists import (
     check_potcar_exists,
     check_eigenval_exists,
     check_vasprun_exists,

tests/unit/utils/test_correct_potential_fourier_transform.py

@@ -3,7 +3,7 @@
 """
 import pytest
 import numpy as np
-from minushalf.utils import correct_potential_fourier_transform
+from minushalf.utils.correct_potential_fourier_transform import correct_potential_fourier_transform
 
 
 def test_correct_potential_fourier_transform_first():

tests/unit/utils/test_drop_comments.py

@@ -1,7 +1,7 @@
 """
 Test drop comments function
 """
-from minushalf.utils import drop_comments
+from minushalf.utils.drop_comments import drop_comments
 
 
 def test_drop_comments_first():

tests/unit/utils/test_get_fractionary_indexes.py

@@ -1,9 +1,14 @@
 """
 Test get simple correction function
 """
-from minushalf.softwares.vasp import (Procar, Vasprun, Eigenvalues)
-from minushalf.utils import (get_fractionary_correction_indexes,
-                             projection_to_df, BandStructure)
+
+from minushalf.softwares.vasp.procar import Procar
+from minushalf.softwares.vasp.vasprun import Vasprun
+from minushalf.softwares.vasp.eigenval import Eigenvalues
+from minushalf.utils.projection_to_df import projection_to_df
+from minushalf.utils.band_structure import BandStructure
+from minushalf.utils.fractionary_correction_indexes import get_fractionary_correction_indexes
+
 
 
 def test_aln_2d_vbm(file_path):

tests/unit/utils/test_get_simple_correction.py

@@ -1,9 +1,12 @@
 """
 Test get simple correction function
 """
-from minushalf.softwares.vasp import (Procar, Vasprun, Eigenvalues)
-from minushalf.utils import (get_fractionary_correction_indexes,
-                             projection_to_df, BandStructure)
+from minushalf.softwares.vasp.procar import Procar
+from minushalf.softwares.vasp.vasprun import Vasprun
+from minushalf.softwares.vasp.eigenval import Eigenvalues
+from minushalf.utils.projection_to_df import projection_to_df
+from minushalf.utils.band_structure import BandStructure
+from minushalf.utils.fractionary_correction_indexes import get_fractionary_correction_indexes
 
 
 def test_aln_2d_vbm(file_path):

tests/unit/utils/test_initial_cut_guess_module.py

@@ -2,7 +2,7 @@
 Test initial cut guess module
 """
 import numpy as np
-from minushalf.utils import CutInitialGuess
+from minushalf.utils.cut_initial_guess import CutInitialGuess
 
 
 def test_3d_method():

tests/unit/utils/test_parse_cut.py

@@ -2,7 +2,7 @@
 Test parse cut function
 """
 import numpy as np
-from minushalf.utils import parse_cut
+from minushalf.utils.parse_cut import parse_cut
 
 
 def test_cut_range():

tests/unit/utils/test_projection_to_df.py

@@ -3,7 +3,7 @@
 """
 import pytest
 import numpy as np
-from minushalf.utils import projection_to_df
+from minushalf.utils.projection_to_df import projection_to_df
 
 
 def test_projection_to_df_first():

tests/unit/utils/test_trimming_function.py

@@ -2,7 +2,7 @@
 Test trimming function
 """
 import numpy as np
-from minushalf.utils import trimming_function
+from minushalf.utils.trimming_function import trimming_function
 
 
 def test_trimming_first():