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from pathlib import Path
import sys
sys.path.insert(0, str(Path.cwd().parent/'schroedinger'))
import pytest
import numpy as np
import matplotlib.pyplot as plt
from schroedinger import (
Config, potential_interp, build_potential, solve_schroedinger
)
potential = {}
e = {}
v = {}
FORMS = ['asymmetric', 'double_linear', 'double_cubic']
@pytest.mark.parametrize('form', FORMS)
def test_potential(form):
potential_prec = np.loadtxt(f'test/{form}/potential.dat')
assert np.allclose(potential[form], potential_prec, rtol=1e-2, atol=1e-2)
@pytest.mark.parametrize('form', FORMS)
def test_e(form):
e_prec = np.loadtxt(f'test/{form}/energies.dat')
assert np.allclose(e[form], e_prec, rtol=1e-2, atol=1e-2)
@pytest.mark.parametrize('form', FORMS)
def test_v(form):
v_prec = np.loadtxt(f'test/{form}/wavefuncs.dat')[:, 1:]
assert np.allclose(v[form], v_prec, rtol=1e-2, atol=1e-2)
def setup_module():
global conf
global potential
global e
global v
for form in FORMS:
conf = Config(f'test/{form}.inp')
potential[form], delta = build_potential(conf)
e[form], v[form] = solve_schroedinger(conf.mass, potential[form][:, 1],
delta, conf.eig_interval)
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