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# Copyright (c) 2016, Science and Technology Facilities Council
# This software is distributed under a BSD licence. See LICENSE.txt.
"""
Tests for mrcfile.py
"""
# Import Python 3 features for future-proofing
from __future__ import (absolute_import, division, print_function,
unicode_literals)
import os
import shutil
import sys
import tempfile
import unittest
import warnings
import numpy as np
try:
from numpy.exceptions import ComplexWarning
except ImportError:
from numpy import ComplexWarning
from . import helpers, test_mrcobject
from mrcfile.mrcfile import MrcFile
from mrcfile.mrcobject import (IMAGE_STACK_SPACEGROUP, VOLUME_SPACEGROUP,
VOLUME_STACK_SPACEGROUP)
import mrcfile.utils as utils
# Try to import pathlib if we can
pathlib_unavailable = False
try:
from pathlib import Path
except ImportError:
try:
from pathlib2 import Path
except ImportError:
pathlib_unavailable = True
# Doctest stuff commented out for now - would be nice to get it working!
# import doctest
# doc_test_dir = tempfile.mkdtemp()
# doc_test_file = MrcFile(os.path.join(doc_test_dir, 'doc_test.mrc'), 'w+')
#
# def tearDownModule():
# global doc_test_dir, doc_test_file
# doc_test_file.close()
# if os.path.exists(doc_test_dir):
# shutil.rmtree(doc_test_dir)
#
# def load_tests(loader, tests, ignore):
# global doc_test_file
# tests.addTests(doctest.DocTestSuite(mrcfile, extraglobs={'mrc': doc_test_file}))
# return tests
class MrcFileTest(test_mrcobject.MrcObjectTest):
"""Unit tests for MRC file I/O.
Note that this test class inherits MrcObjectTest to ensure all of the tests
for MrcObject work correctly for the MrcFile subclass. setUp() is a little
more complicated as a result.
"""
def setUp(self):
super(MrcFileTest, self).setUp()
# Set up test files and names to be used
self.test_data = helpers.get_test_data_path()
self.test_output = tempfile.mkdtemp()
self.temp_mrc_name = os.path.join(self.test_output, 'test_mrcfile.mrc')
self.example_mrc_name = os.path.join(self.test_data, 'EMD-3197.map')
self.ext_header_mrc_name = os.path.join(self.test_data, 'EMD-3001.map')
self.fei1_ext_header_mrc_name = os.path.join(self.test_data, 'fei-extended.mrc')
self.fei2_ext_header_mrc_name = os.path.join(self.test_data, 'epu2.9_example.mrc')
# Set newmrc method as MrcFile constructor, to allow override by subclasses
self.newmrc = MrcFile
# Set up parameters so MrcObject tests run on the MrcFile class
obj_mrc_name = os.path.join(self.test_output, 'test_mrcobject.mrc')
self.mrcobject = MrcFile(obj_mrc_name, 'w+')
def tearDown(self):
self.mrcobject.close()
if os.path.exists(self.test_output):
shutil.rmtree(self.test_output)
super(MrcFileTest, self).tearDown()
############################################################################
#
# Tests which depend on existing files (in the test_data directory)
#
def test_machine_stamp_is_read_correctly(self):
with self.newmrc(self.example_mrc_name) as mrc:
assert np.array_equal(mrc.header.machst, [ 0x44, 0x41, 0, 0 ])
if sys.byteorder == 'little':
assert mrc.header.mode.dtype.byteorder in ('=', '<')
assert mrc.data.dtype.byteorder in ('=', '<')
else:
assert mrc.header.mode.dtype.byteorder == '<'
assert mrc.data.dtype.byteorder == '<'
def test_non_mrc_file_is_rejected(self):
name = os.path.join(self.test_data, 'emd_3197.png')
with (self.assertRaisesRegex(ValueError, 'Map ID string not found')):
self.newmrc(name)
def test_non_mrc_file_gives_correct_warnings_in_permissive_mode(self):
name = os.path.join(self.test_data, 'emd_3197.png')
with warnings.catch_warnings(record=True) as w:
warnings.simplefilter("always")
with self.newmrc(name, permissive=True) as mrc:
assert mrc.header is not None
assert mrc.extended_header is None
assert mrc.data is None
assert len(w) == 4
assert "Map ID string not found" in str(w[0].message)
assert "Unrecognised machine stamp" in str(w[1].message)
assert "Expected 976237114 bytes in extended header" in str(w[2].message)
assert "Unrecognised mode" in str(w[3].message)
def test_repr(self):
with self.newmrc(self.example_mrc_name) as mrc:
expected = "MrcFile('{0}', mode='r')".format(self.example_mrc_name)
assert repr(mrc) == expected
def test_data_values_are_correct(self):
with self.newmrc(self.example_mrc_name) as mrc:
# Check a few values
self.assertAlmostEqual(mrc.data[0, 0, 0], -1.8013091)
self.assertAlmostEqual(mrc.data[9, 6, 13], 4.6207790)
self.assertAlmostEqual(mrc.data[9, 6, 14], 5.0373931)
self.assertAlmostEqual(mrc.data[-1, -1, -1], 1.3078574)
# Calculate some statistics for all values
calc_max = mrc.data.max()
calc_min = mrc.data.min()
calc_mean = mrc.data.mean(dtype=np.float64)
calc_std = mrc.data.std()
calc_sum = mrc.data.sum()
# Compare calculated values with header records
self.assertAlmostEqual(calc_max, mrc.header.dmax)
self.assertAlmostEqual(calc_min, mrc.header.dmin)
self.assertAlmostEqual(calc_mean, mrc.header.dmean)
self.assertAlmostEqual(calc_std, mrc.header.rms)
# Convert calc_sum to float to fix a bug with memmap comparisons in python 3
self.assertAlmostEqual(float(calc_sum), 6268.896, places=3)
def test_absent_extended_header_is_read_as_zero_length_array(self):
with self.newmrc(self.example_mrc_name) as mrc:
assert mrc.header.nbytes == 1024
assert mrc.header.nsymbt == 0
assert mrc.extended_header.nbytes == 0
assert mrc.extended_header.dtype.kind == 'V'
assert mrc.extended_header.tobytes() == b''
def test_extended_header_is_read_correctly(self):
with self.newmrc(self.ext_header_mrc_name) as mrc:
assert mrc.header.nbytes == 1024
assert mrc.header.nsymbt == 160
assert mrc.extended_header.nbytes == 160
assert mrc.extended_header.dtype.kind == 'V'
mrc.extended_header.dtype = 'S80'
ext = mrc.extended_header
assert ext[0] == (b'X, Y, Z '
b' ')
assert ext[1] == (b'-X, Y+1/2, -Z '
b' ')
def test_indexed_extended_header_from_FEI1_file(self):
with self.newmrc(self.fei1_ext_header_mrc_name) as mrc:
# FEI1 means use the fei format
assert mrc.header['exttyp'] == b'FEI1'
assert mrc.header.nversion == 20140
assert mrc.header.nsymbt == 786432
assert mrc.extended_header.nbytes == 786432
ext = mrc.indexed_extended_header
assert ext.dtype.kind == 'V'
# Most fields (e.g. Metadata size) are little-endian in this file
assert ext.dtype['Metadata size'] == np.dtype('<i4')
# Bitmasks should always be little-endian
assert ext.dtype['Bitmask 1'] == np.dtype('<u4')
assert ext.dtype['Microscope type'] == np.dtype('|S16')
assert ext[0]['Metadata size'] == 768
assert ext[0]['Metadata version'] == 0
assert ext[0]['Microscope type'] == b'TITAN52336320'
assert ext[0]['HT'] == 300000.0
def test_indexed_extended_header_from_FEI2_file(self):
with self.newmrc(self.fei2_ext_header_mrc_name) as mrc:
# FEI2 means use the fei format
assert mrc.header['exttyp'] == b'FEI2'
assert mrc.header.nversion == 20140
assert mrc.header.nsymbt == 909312
assert mrc.extended_header.nbytes == 909312
ext = mrc.indexed_extended_header
assert ext.dtype.kind == 'V'
# Most fields (e.g. Metadata size) are little-endian in this file
assert ext.dtype['Metadata size'] == np.dtype('<i4')
# Bitmasks should always be little-endian
assert ext.dtype['Bitmask 1'] == np.dtype('<u4')
assert ext.dtype['Microscope type'] == np.dtype('|S16')
assert ext[0]['Metadata size'] == 888
assert ext[0]['Metadata version'] == 2
assert ext[0]['Microscope type'] == b'TITAN52337720'
assert ext[0]['HT'] == 300000.0
assert ext[0]['Scan rotation'] == 0.0
assert ext[0]['Detector commercial name'] == b''
def test_cannot_edit_extended_header_in_read_only_mode(self):
with self.newmrc(self.ext_header_mrc_name, mode='r') as mrc:
assert not mrc.extended_header.flags.writeable
with self.assertRaisesRegex(ValueError, 'read-only'):
mrc.extended_header.fill(b'a')
def test_cannot_set_extended_header_in_read_only_mode(self):
with self.newmrc(self.example_mrc_name, mode='r') as mrc:
assert not mrc.extended_header.flags.writeable
with self.assertRaisesRegex(ValueError, 'read-only'):
mrc.set_extended_header(np.zeros(5))
def test_voxel_size_is_read_correctly(self):
with self.newmrc(self.example_mrc_name) as mrc:
self.assertAlmostEqual(mrc.voxel_size.x, 11.400000, places=6)
self.assertAlmostEqual(mrc.voxel_size.y, 11.400000, places=6)
self.assertAlmostEqual(mrc.voxel_size.z, 11.400000, places=6)
def test_stream_can_be_read_again(self):
with self.newmrc(self.example_mrc_name) as mrc:
orig_data = mrc.data.copy()
mrc._read()
np.testing.assert_array_equal(orig_data, mrc.data)
@unittest.skipIf(pathlib_unavailable, "pathlib not available")
def test_opening_with_pathlib(self):
path = Path(self.example_mrc_name)
with self.newmrc(path) as mrc:
assert self.example_mrc_name in repr(mrc)
############################################################################
#
# Tests which do not depend on any existing files
#
def test_opening_nonexistent_file(self):
with self.assertRaisesRegex(Exception, "No such file"):
self.newmrc('no_file')
def test_opening_file_with_unknown_mode(self):
with self.newmrc(self.temp_mrc_name, mode='w+') as mrc:
mrc.header.mode = 10
with self.assertRaisesRegex(ValueError, "Unrecognised mode"):
self.newmrc(self.temp_mrc_name)
def test_can_read_and_flush_stream_repeatedly(self):
orig_data = np.arange(12, dtype=np.int16).reshape(3, 4)
with self.newmrc(self.temp_mrc_name, mode='w+') as mrc:
mrc.set_data(orig_data.copy())
mrc.flush()
np.testing.assert_array_equal(orig_data, mrc.data)
mrc._read()
np.testing.assert_array_equal(orig_data, mrc.data)
mrc._read()
mrc.flush()
mrc.flush()
mrc._read()
mrc._read()
mrc.flush()
np.testing.assert_array_equal(orig_data, mrc.data)
def test_cannot_use_invalid_file_modes(self):
for mode in ('w', 'a', 'a+'):
with self.assertRaisesRegex(ValueError, "Mode '.+' not supported"):
self.newmrc(self.temp_mrc_name, mode=mode)
def test_cannot_accidentally_overwrite_file(self):
assert not os.path.exists(self.temp_mrc_name)
open(self.temp_mrc_name, 'w+').close()
assert os.path.exists(self.temp_mrc_name)
with self.assertRaisesRegex(ValueError, "already exists"):
self.newmrc(self.temp_mrc_name, mode='w+')
def test_can_deliberately_overwrite_file(self):
assert not os.path.exists(self.temp_mrc_name)
open(self.temp_mrc_name, 'w+').close()
assert os.path.exists(self.temp_mrc_name)
self.newmrc(self.temp_mrc_name, mode='w+', overwrite=True).close()
def test_warning_issued_if_file_is_too_large(self):
with self.newmrc(self.temp_mrc_name, mode='w+') as mrc:
mrc.set_data(np.arange(12, dtype=np.int16).reshape(3, 4))
# Call internal _set_new_data() method to add an extra row of data
# without updating the header
mrc._set_new_data(np.arange(16, dtype=np.int16).reshape(4, 4))
with warnings.catch_warnings(record=True) as w:
warnings.simplefilter("always")
self.newmrc(self.temp_mrc_name)
assert len(w) == 1
assert issubclass(w[0].category, RuntimeWarning)
assert "file is 8 bytes larger than expected" in str(w[0].message)
def test_exception_raised_if_file_is_too_small_for_reading_extended_header(self):
with self.newmrc(self.temp_mrc_name, mode='w+') as mrc:
mrc.set_data(np.arange(24, dtype=np.int16).reshape(2, 3, 4))
mrc.header.nsymbt = 49
expected_error_msg = ("Expected 49 bytes in extended header "
"but could only read 48")
with self.assertRaisesRegex(ValueError, expected_error_msg):
self.newmrc(self.temp_mrc_name)
def test_exception_raised_if_file_is_too_small_for_reading_data(self):
with self.newmrc(self.temp_mrc_name, mode='w+') as mrc:
mrc.set_data(np.arange(24, dtype=np.int16).reshape(2, 3, 4))
assert mrc.header.mz == 2
mrc.header.mz = mrc.header.nz = 3
expected_error_msg = ("Expected 72 bytes in data block"
" but limit is 48")
with self.assertRaisesRegex(ValueError, expected_error_msg):
self.newmrc(self.temp_mrc_name)
@unittest.skipIf(sys.maxsize <= np.iinfo(np.int32).max, "can't run test on 32-bit")
def test_data_is_not_read_if_dimensions_are_too_huge(self):
# Prepare x, y and z counts to try to trigger an out-of-memory error
# The individual values need to fit in int32 values to be stored in the header
# and their product must be as large as possible while still less than
# sys.maxsize (if larger, it triggers an index overflow error instead)
max_i4 = np.iinfo('i4').max
max_arr = sys.maxsize
nx = max_i4
ny = min(max_i4, max_arr // nx)
nz = min(max_i4, max_arr // (nx * ny))
# Check that an allocation of this size really does cause a memory error
with self.assertRaises(MemoryError):
_ = bytearray(nx * ny * nz)
# Now put these values into a file
with self.newmrc(self.temp_mrc_name, mode='w+') as mrc:
mrc.set_data(np.arange(24, dtype=np.int8).reshape(2, 3, 4))
mrc.header.mx = mrc.header.nx = nx
mrc.header.my = mrc.header.ny = ny
mrc.header.mz = mrc.header.nz = nz
# And now check that if we open the file, we avoid the problem and don't try
# to allocate enough memory to cause an out-of-memory error
with warnings.catch_warnings(record=True) as w:
warnings.simplefilter("always")
with self.newmrc(self.temp_mrc_name, permissive=True) as mrc:
assert mrc.data is None
assert len(w) > 0
assert str(w[0].message) in (
"Expected {} bytes in data block but limit is 24".format(nx * ny * nz),
"Error opening memmap",
)
assert issubclass(w[0].category, RuntimeWarning)
assert len(w) == 1
def test_can_edit_header_in_read_write_mode(self):
with self.newmrc(self.temp_mrc_name, mode='w+') as mrc:
mrc.set_data(np.arange(12, dtype=np.int16).reshape(3, 4))
with self.newmrc(self.temp_mrc_name, mode='r+') as mrc:
assert mrc.header.ispg == 0
assert mrc.header.flags.writeable
mrc.header.ispg = 1
assert mrc.header.ispg == 1
def test_cannot_edit_header_in_read_only_mode(self):
with self.newmrc(self.temp_mrc_name, mode='w+') as mrc:
mrc.set_data(np.arange(12, dtype=np.int16).reshape(3, 4))
with self.newmrc(self.temp_mrc_name, mode='r') as mrc:
assert mrc.header.ispg == 0
assert not mrc.header.flags.writeable
with self.assertRaisesRegex(ValueError, 'read-only'):
mrc.header.ispg = 1
with self.newmrc(self.temp_mrc_name, mode='r') as mrc:
assert mrc.header.ispg == 0
def test_creating_extended_header(self):
data = np.arange(12, dtype=np.int16).reshape(3, 4)
extended_header = np.array('example extended header', dtype='S')
with self.newmrc(self.temp_mrc_name, mode='w+') as mrc:
mrc.set_data(data)
mrc.set_extended_header(extended_header)
np.testing.assert_array_equal(mrc.data, data)
with self.newmrc(self.temp_mrc_name, mode='r') as mrc:
# Change the extended header dtype to a string for comparison
mrc.extended_header.dtype = 'S{}'.format(mrc.extended_header.nbytes)
np.testing.assert_array_equal(mrc.extended_header, extended_header)
np.testing.assert_array_equal(mrc.data, data)
def test_removing_extended_header(self):
data = np.arange(12, dtype=np.int16).reshape(3, 4)
extended_header = np.array('example extended header', dtype='S')
with self.newmrc(self.temp_mrc_name, mode='w+') as mrc:
mrc.set_data(data)
mrc.set_extended_header(extended_header)
with self.newmrc(self.temp_mrc_name, mode='r+') as mrc:
mrc.set_extended_header(np.array(()))
mrc.flush()
assert mrc.header.nsymbt == 0
file_size = mrc._iostream.tell() # relies on flush() leaving stream at end
assert file_size == mrc.header.nbytes + mrc.data.nbytes
def test_extended_header_with_incorrect_type(self):
data = np.arange(12, dtype=np.int16).reshape(3, 4)
extended_header = np.array('example extended header', dtype='S')
with self.newmrc(self.temp_mrc_name, mode='w+') as mrc:
mrc.set_data(data)
mrc.set_extended_header(extended_header)
mrc.header.exttyp = b'FEI1'
with warnings.catch_warnings(record=True) as w:
warnings.simplefilter("always")
with self.newmrc(self.temp_mrc_name, mode='r+') as mrc:
# Test that the file is still read, and the dtype falls back to 'V'
assert mrc.extended_header.dtype.kind == 'V'
assert mrc.indexed_extended_header is None
mrc.extended_header.dtype = 'S{}'.format(mrc.extended_header.nbytes)
np.testing.assert_array_equal(mrc.extended_header, extended_header)
assert len(w) == 1
assert "FEI1" in str(w[0].message)
assert "extended header" in str(w[0].message)
def test_can_edit_data_in_read_write_mode(self):
with self.newmrc(self.temp_mrc_name, mode='w+') as mrc:
mrc.set_data(np.arange(12, dtype=np.int16).reshape(3, 4))
with self.newmrc(self.temp_mrc_name, mode='r+') as mrc:
assert mrc.data[1,1] == 5
assert mrc.data.flags.writeable
mrc.data[1,1] = 0
assert mrc.data[1,1] == 0
def test_cannot_edit_data_in_read_only_mode(self):
with self.newmrc(self.temp_mrc_name, mode='w+') as mrc:
mrc.set_data(np.arange(12, dtype=np.int16).reshape(3, 4))
with self.newmrc(self.temp_mrc_name, mode='r') as mrc:
assert mrc.data[1,1] == 5
assert not mrc.data.flags.writeable
with self.assertRaisesRegex(ValueError, 'read-only'):
mrc.data[1,1] = 0
def test_header_only_mode_does_not_read_data(self):
with self.newmrc(self.temp_mrc_name, mode='w+') as mrc:
mrc.set_data(np.arange(12, dtype=np.int16).reshape(3, 4))
with self.newmrc(self.temp_mrc_name, mode='r', header_only=True) as mrc:
assert mrc.header is not None
assert mrc.extended_header is not None
assert mrc.data is None
def test_writing_image_mode_0(self):
x, y = 10, 9
data = np.linspace(-128, 127, x * y, dtype=np.int8).reshape(y, x)
name = os.path.join(self.test_output, 'test_img_10x9_mode0.mrc')
# Write data
with self.newmrc(name, mode='w+') as mrc:
mrc.set_data(data)
# Re-read data and check header and data values
with self.newmrc(name) as mrc:
np.testing.assert_array_equal(mrc.data, data)
assert not mrc.is_image_stack()
assert mrc.header.ispg == IMAGE_STACK_SPACEGROUP
assert mrc.header.nx == mrc.header.mx == x
assert mrc.header.ny == mrc.header.my == y
assert mrc.header.nz == mrc.header.mz == 1
def test_writing_image_unsigned_bytes(self):
x, y = 10, 9
data = np.linspace(0, 255, x * y, dtype=np.uint8).reshape(y, x)
name = os.path.join(self.test_output, 'test_img_10x9_uint8.mrc')
# Write data
with self.newmrc(name, mode='w+') as mrc:
mrc.set_data(data)
# Check data has been converted to mode 6
np.testing.assert_array_equal(mrc.data, data)
assert mrc.header.mode == 6
assert mrc.data.dtype == np.uint16
def write_file_then_read_and_assert_data_unchanged(self, name, data):
with self.newmrc(name, mode='w+') as mrc:
mrc.set_data(data)
with self.newmrc(name) as mrc:
np.testing.assert_array_equal(mrc.data, data)
assert mrc.data.dtype == data.dtype
def test_writing_image_mode_1_native_byte_order(self):
data = np.linspace(-32768, 32767, 90, dtype=np.int16).reshape(9, 10)
name = os.path.join(self.test_output, 'test_img_10x9_mode1_native.mrc')
self.write_file_then_read_and_assert_data_unchanged(name, data)
def test_writing_image_mode_1_little_endian(self):
data = np.linspace(-32768, 32767, 90, dtype='<i2').reshape(9, 10)
name = os.path.join(self.test_output, 'test_img_10x9_mode1_le.mrc')
self.write_file_then_read_and_assert_data_unchanged(name, data)
def test_writing_image_mode_1_big_endian(self):
data = np.linspace(-32768, 32767, 90, dtype='>i2').reshape(9, 10)
name = os.path.join(self.test_output, 'test_img_10x9_mode1_be.mrc')
self.write_file_then_read_and_assert_data_unchanged(name, data)
def test_writing_image_mode_2_native_byte_order(self):
data = create_test_float32_array()
name = os.path.join(self.test_output, 'test_img_10x9_mode2_native.mrc')
self.write_file_then_read_and_assert_data_unchanged(name, data)
def test_writing_image_mode_2_little_endian(self):
data = create_test_float32_array(np.dtype('<f4'))
name = os.path.join(self.test_output, 'test_img_10x9_mode2_le.mrc')
self.write_file_then_read_and_assert_data_unchanged(name, data)
def test_writing_image_mode_2_big_endian(self):
data = create_test_float32_array(np.dtype('>f4'))
name = os.path.join(self.test_output, 'test_img_10x9_mode2_be.mrc')
self.write_file_then_read_and_assert_data_unchanged(name, data)
def test_writing_image_mode_2_with_inf_and_nan(self):
# Make an array of test data
data = create_test_float32_array()
# Set some unusual values
data[4][0] = np.nan
data[4][1] = np.inf
data[4][2] = -np.inf
# Write the data to a file and test it's read back correctly
name = os.path.join(self.test_output, 'test_img_10x9_mode2_inf_nan.mrc')
# Suppress warnings from statistics calculations with inf and nan
with warnings.catch_warnings():
warnings.simplefilter("ignore", RuntimeWarning)
self.write_file_then_read_and_assert_data_unchanged(name, data)
def test_writing_image_float16(self):
x, y = 10, 9
data = np.linspace(-65504, 65504, x * y, dtype=np.float16).reshape(y, x)
name = os.path.join(self.test_output, 'test_img_10x9_float16.mrc')
# Write data
with self.newmrc(name, mode='w+') as mrc:
mrc.set_data(data)
# Check data has been converted to mode 2
np.testing.assert_array_equal(mrc.data, data)
assert mrc.header.mode == 12
assert mrc.data.dtype == np.float16
def test_writing_image_mode_4_native_byte_order(self):
data = create_test_complex64_array()
name = os.path.join(self.test_output, 'test_img_10x9_mode4_native.mrc')
# Suppress complex casting warnings from statistics calculations
with warnings.catch_warnings():
warnings.simplefilter("ignore", ComplexWarning)
self.write_file_then_read_and_assert_data_unchanged(name, data)
def test_writing_image_mode_4_little_endian(self):
data = create_test_complex64_array().astype('<c8')
name = os.path.join(self.test_output, 'test_img_10x9_mode4_le.mrc')
# Suppress complex casting warnings from statistics calculations
with warnings.catch_warnings():
warnings.simplefilter("ignore", ComplexWarning)
self.write_file_then_read_and_assert_data_unchanged(name, data)
def test_writing_image_mode_4_big_endian(self):
data = create_test_complex64_array().astype('>c8')
name = os.path.join(self.test_output, 'test_img_10x9_mode4_be.mrc')
# Suppress complex casting warnings from statistics calculations
with warnings.catch_warnings():
warnings.simplefilter("ignore", ComplexWarning)
self.write_file_then_read_and_assert_data_unchanged(name, data)
def test_writing_image_mode_4_with_inf_and_nan(self):
# Make an array of test data
data = create_test_complex64_array()
# Set some unusual values
data[4][0] = (0 + 0j) * np.nan # =(nan+nan*j)
data[4][1] = (1 + 1j) * np.inf # =(inf+inf*j)
data[4][2] = (-1 - 1j) * np.inf # =(-inf-inf*j)
data[4][3] = (1 - 1j) * np.inf # =(inf-inf*j)
data[4][4] = (-1 + 1j) * np.inf # =(-inf+inf*j)
# Write the data to a file and test it's read back correctly
name = os.path.join(self.test_output, 'test_img_10x9_mode4_inf_nan.mrc')
# Suppress warnings from statistics calculations with inf and nan
with warnings.catch_warnings():
warnings.simplefilter("ignore", RuntimeWarning)
self.write_file_then_read_and_assert_data_unchanged(name, data)
def test_writing_image_mode_6_native_byte_order(self):
data = np.linspace(0, 65535, 90, dtype=np.int16).reshape(9, 10)
name = os.path.join(self.test_output, 'test_img_10x9_mode6_native.mrc')
self.write_file_then_read_and_assert_data_unchanged(name, data)
def test_writing_image_mode_6_little_endian(self):
data = np.linspace(0, 65535, 90, dtype='<u2').reshape(9, 10)
name = os.path.join(self.test_output, 'test_img_10x9_mode6_le.mrc')
self.write_file_then_read_and_assert_data_unchanged(name, data)
def test_writing_image_mode_6_big_endian(self):
data = np.linspace(0, 65535, 90, dtype='>u2').reshape(9, 10)
name = os.path.join(self.test_output, 'test_img_10x9_mode6_be.mrc')
self.write_file_then_read_and_assert_data_unchanged(name, data)
def test_writing_image_stack_mode_2_native_byte_order(self):
x, y, z = 10, 9, 5
img = np.linspace(-1e6, 1e6, x * y, dtype=np.float32).reshape(y, x)
stack = np.arange(1, 6, dtype=np.float32).reshape(z, 1, 1) * img
name = os.path.join(self.test_output, 'test_img_stack_10x9x5_mode2_native.mrc')
# Write data
with self.newmrc(name, mode='w+') as mrc:
mrc.set_data(stack)
mrc.set_image_stack()
# Re-read data and check header and data values
with self.newmrc(name) as mrc:
np.testing.assert_array_equal(mrc.data, stack)
assert mrc.is_image_stack()
assert mrc.header.ispg == IMAGE_STACK_SPACEGROUP
assert mrc.header.nx == mrc.header.mx == x
assert mrc.header.ny == mrc.header.my == y
assert mrc.header.mz == 1
assert mrc.header.nz == z
def test_writing_volume_mode_1_native_byte_order(self):
x, y, z = 10, 9, 5
img = np.linspace(-32768, 32767, x * y, dtype=np.int16).reshape(y, x)
vol = img // np.arange(1, 6, dtype=np.int16).reshape(z, 1, 1)
name = os.path.join(self.test_output, 'test_vol_10x9x5_mode1_native.mrc')
# Write data
with self.newmrc(name, mode='w+') as mrc:
mrc.set_data(vol)
# Re-read data and check header and data values
with self.newmrc(name) as mrc:
np.testing.assert_array_equal(mrc.data, vol)
assert mrc.header.ispg == VOLUME_SPACEGROUP
assert mrc.header.nx == mrc.header.mx == x
assert mrc.header.ny == mrc.header.my == y
assert mrc.header.mz == mrc.header.nz == z
def test_writing_volume_stack_mode_1_native_byte_order(self):
x, y, z, nvol = 10, 9, 5, 3
img = np.linspace(-32768, 32767, x * y, dtype=np.int16).reshape(y, x)
vol = img // np.arange(1, 6, dtype=np.int16).reshape(z, 1, 1)
stack = vol * np.array([-1, 0, 1], dtype=np.int16).reshape(nvol, 1, 1, 1)
name = os.path.join(self.test_output, 'test_vol_stack_10x9x5x3_mode1_native.mrc')
# Write data
with self.newmrc(name, mode='w+') as mrc:
mrc.set_data(stack)
# Re-read data and check header and data values
with self.newmrc(name) as mrc:
np.testing.assert_array_equal(mrc.data, stack)
assert mrc.header.ispg == VOLUME_STACK_SPACEGROUP
assert mrc.header.nx == mrc.header.mx == x
assert mrc.header.ny == mrc.header.my == y
assert mrc.header.mz == z
assert mrc.header.nz == z * nvol
def test_data_transposed_in_place_is_written_without_errors(self):
# Quite unlikely that anyone will mess with the data array like this,
# but still worth making sure the flush() call is robust!
x, y, z = 10, 9, 5
img = np.linspace(-32768, 32767, x * y, dtype=np.int16).reshape(y, x)
vol = img // np.arange(1, 6, dtype=np.int16).reshape(z, 1, 1)
transposed_vol = vol.transpose()
# Write data and confirm it's C-contiguous
mrc = self.newmrc(self.temp_mrc_name, mode='w+')
mrc.set_data(vol)
mrc.flush()
assert mrc.data.flags.c_contiguous == True
# Transpose the data array in-place
strides = mrc.data.strides
mrc.data.shape = mrc.data.shape[::-1]
mrc.data.strides = strides[::-1]
# Check this is an effective way to do in-place transpose()
np.testing.assert_array_equal(transposed_vol, mrc.data)
# Confirm data is no longer C-contiguous
assert mrc.data.flags.c_contiguous == False
# Flush and close should work without errors
mrc.flush()
mrc.close()
def test_transposed_data_is_made_contiguous_on_set(self):
# Quite unlikely that anyone will mess with the data array like this,
# but still worth making sure the flush() call is robust!
x, y, z = 10, 9, 5
img = np.linspace(-32768, 32767, x * y, dtype=np.int16).reshape(y, x)
vol = img // np.arange(1, 6, dtype=np.int16).reshape(z, 1, 1)
vol = vol.transpose()
assert vol.flags.c_contiguous == False
# Write data and confirm it's C-contiguous
with self.newmrc(self.temp_mrc_name, mode='w+') as mrc:
mrc.set_data(vol)
assert mrc.data.flags.c_contiguous == True
def test_permissive_read_with_wrong_machine_stamp(self):
data = np.arange(12, dtype=np.int16).reshape(3, 4)
with self.newmrc(self.temp_mrc_name, mode='w+') as mrc:
mrc.set_data(data)
wrong_byte_order = mrc.header.mode.dtype.newbyteorder().byteorder
mrc.header.machst = utils.machine_stamp_from_byte_order(wrong_byte_order)
with self.assertRaisesRegex(ValueError, "Unrecognised mode"):
self.newmrc(self.temp_mrc_name)
with warnings.catch_warnings(record=True) as w:
warnings.simplefilter("always")
with self.newmrc(self.temp_mrc_name, permissive=True) as mrc:
np.testing.assert_array_equal(mrc.data, data)
assert len(w) == 1
assert "Machine stamp" in str(w[0].message)
assert "byte order" in str(w[0].message)
def create_test_float32_array(dtype=np.float32):
"""Create a 10 x 9 array of float values.
Values above 10^19 cause data.std(dtype=np.float32) to overflow, so we
stay inside that range to avoid warnings."""
data = np.zeros((9, 10), dtype=dtype)
data[:4] = np.negative(np.logspace(19, -38, 40).reshape(4, 10))
data[5:] = np.logspace(-38, 19, 40).reshape(4, 10)
return data
def create_test_complex64_array():
floats = create_test_float32_array()
data = 0.1j * floats[::-1]
data += floats
assert data.dtype.type == np.complex64
return data
if __name__ == '__main__':
unittest.main()
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