from numpy.testing import assert_equal
from falass import readwrite, job
import os
import unittest
[docs]class TestJob(unittest.TestCase):
[docs] def test_job(self):
self.path = os.path.dirname(os.path.abspath(__file__))
a = readwrite.Files(os.path.join(self.path, 'test.pdb'), lgtfile=os.path.join(self.path, 'test.lgt'),
datfile=os.path.join(self.path, 'test3.dat'))
a.read_pdb()
a.read_lgt()
a.read_dat()
b = job.Job(a, 1., 5.)
assert_equal(b.layer_thickness, 1.)
assert_equal(b.cut_off_size, 5.)
assert_equal(b.times, [0., 10000., 20000., 30000., 40000., 50000.])
[docs] def test_set_run(self):
self.path = os.path.dirname(os.path.abspath(__file__))
a = readwrite.Files(os.path.join(self.path, 'test.pdb'), lgtfile=os.path.join(self.path, 'test.lgt'),
datfile=os.path.join(self.path, 'test3.dat'))
a.read_pdb()
a.read_lgt()
a.read_dat()
b = job.Job(a, 1., 5.)
self.path = os.path.dirname(os.path.abspath(__file__))
a2 = readwrite.Files(os.path.join(self.path, 'test2.pdb'), lgtfile=os.path.join(self.path, 'test.lgt'),
datfile=os.path.join(self.path, 'test3.dat'))
a2.read_pdb()
a2.read_lgt()
a2.read_dat()
b.set_run(files=a2, layer_thickness=2., cut_off_size=3.)
assert_equal(b.layer_thickness, 2.)
assert_equal(b.cut_off_size, 3.)
assert_equal(b.times, [0., 10000., 20000., 30000., 40000.])
[docs] def test_set_lgts(self):
self.path = os.path.dirname(os.path.abspath(__file__))
a = readwrite.Files(os.path.join(self.path, 'test.pdb'), lgtfile=os.path.join(self.path, 'test.lgt'))
a.read_pdb()
a.read_lgt()
b = job.Job(a, 1., 5.)
b.set_lgts()
assert_equal(b.new_file, False)
[docs] def test_set_times(self):
self.path = os.path.dirname(os.path.abspath(__file__))
a = readwrite.Files(os.path.join(self.path, 'test.pdb'), lgtfile=os.path.join(self.path, 'test.lgt'))
a.read_pdb()
a.read_lgt()
b = job.Job(a, 1., 5.)
b.set_times([0., 20000., 10000.])
assert_equal(len(b.times), 3)
assert_equal(b.times, [0., 10000., 20000.])
[docs] def test_check_array_true(self):
array = [0, 1, 2, 3, 4]
check = 1
bool_ret = job.check_array(array, check)
assert_equal(bool_ret, True)
[docs] def test_check_array_false(self):
array = [0, 1, 2, 3, 4]
check = 6
bool_ret = job.check_array(array, check)
assert_equal(bool_ret, False)