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#!/usr/bin/env python
""" Tests of xraydb interface """
import time
import pytest
import numpy as np
from numpy.testing import assert_allclose
from xraydb import XrayDB
def test_xraydb_version():
xdb = XrayDB()
version = xdb.get_version()
assert 'XrayDB Version: 9.1, Python' in version
hist = xdb.get_version(with_history=True)
assert len(hist) > 350
hist = hist.split('\n')
assert len(hist) > 4
def test_molar_mass():
xdb = XrayDB()
assert_allclose(xdb.molar_mass('Co'), 58.932, rtol=0.001)
with pytest.raises(ValueError):
xdb.molar_mass('Mx')
def test_density():
xdb = XrayDB()
assert_allclose(xdb.density('Ne'), 0.00090, rtol=0.01)
assert_allclose(xdb.density('Ti'), 4.506, rtol=0.01)
assert_allclose(xdb.density('Kr'), 0.00375, rtol=0.01)
assert_allclose(xdb.density('Mo'), 10.28, rtol=0.01)
assert_allclose(xdb.density('Pd'), 12.03, rtol=0.01)
assert_allclose(xdb.density('Au'), 19.3, rtol=0.01)
with pytest.raises(ValueError):
xdb.density('Mx')
def test_atomic_number():
xdb = XrayDB()
assert xdb.atomic_number('Ne') == 10
with pytest.raises(ValueError):
xdb.atomic_number('Mx')
def test_symbol():
xdb = XrayDB()
assert xdb.symbol(40) == 'Zr'
def test_xray_line_strengths():
xdb = XrayDB()
assert len(xdb.xray_line_strengths('Hg', excitation_energy=2800)) == 2
assert len(xdb.xray_line_strengths('Hg', excitation_energy=12000)) == 3
assert len(xdb.xray_line_strengths('Hg', excitation_energy=12500)) == 9
assert len(xdb.xray_line_strengths('Hg', excitation_energy=14300)) == 13
assert len(xdb.xray_line_strengths('Hg', excitation_energy=16000)) == 17
def test_ionization_potentials():
xdb = XrayDB()
assert xdb.ionization_potential('air') == 33.8
assert xdb.ionization_potential('helium') == 41.3
assert xdb.ionization_potential('He') == 41.3
assert xdb.ionization_potential('Si') == 3.68
with pytest.raises(ValueError):
xdb.ionization_potential('p10')
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