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"""Test ase.io.ulm file stuff."""
import pytest
import numpy as np
import ase.io.ulm as ulm
class A:
def write(self, writer):
writer.write(x=np.ones((2, 3)))
@staticmethod
def read(reader):
a = A()
a.x = reader.x
return a
@pytest.fixture
def ulmfile(tmp_path):
path = tmp_path / 'a.ulm'
with ulm.open(path, 'w') as w:
w.write(a=A(), y=9)
w.write(s='abc')
w.sync()
w.write(s='abc2')
w.sync()
w.write(s='abc3', z=np.ones(7, int))
return path
def test_ulm(ulmfile):
with ulm.open(ulmfile) as r:
assert r.y == 9
assert r.s == 'abc'
assert (A.read(r.a).x == np.ones((2, 3))).all()
assert (r.a.x == np.ones((2, 3))).all()
assert r[1].s == 'abc2'
assert r[2].s == 'abc3'
assert (r[2].z == np.ones(7)).all()
def test_append(ulmfile):
path = ulmfile.with_name('b.ulm')
path.write_bytes(ulmfile.read_bytes())
with ulm.open(path, 'a') as w:
assert w.nitems == 3
w.write(d={'h': [1, 'asdf']})
w.add_array('psi', (4, 2))
w.fill(np.ones((1, 2)))
w.fill(np.ones((1, 2)) * 2)
w.fill(np.ones((2, 2)) * 3)
with ulm.open(path, 'r', 3) as r:
assert r.d['h'] == [1, 'asdf']
with ulm.open(path) as r:
assert (r[2].z == np.ones(7)).all()
with ulm.open(path, index=3) as r:
psi = r.proxy('psi')[0:3]
assert (psi == [[1, 1], [2, 2], [3, 3]]).all()
def test_ulm_copy(ulmfile):
path = ulmfile.with_name('c.ulm')
ulm.copy(ulmfile, path, exclude={'.a'})
with ulm.open(path) as r:
assert 'a' not in r
assert 'y' in r
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