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# coding: utf-8
# Copyright (c) 2016, Science and Technology Facilities Council
# This software is distributed under a BSD licence. See LICENSE.txt.
"""
Tests for mrcobject.py
"""
# Import Python 3 features for future-proofing
from __future__ import (absolute_import, division, print_function,
unicode_literals)
import io
import sys
import unittest
import warnings
from datetime import datetime
import numpy as np
from .helpers import AssertRaisesRegexMixin
from mrcfile import constants
from mrcfile.mrcobject import MrcObject
from mrcfile import utils
class MrcObjectTest(AssertRaisesRegexMixin, unittest.TestCase):
"""Unit tests for MrcObject class"""
def setUp(self):
super(MrcObjectTest, self).setUp()
# Make sure we don't have any unexpected warnings by raising them all
# as errors unless they are explicitly caught or ignored
warning_context = warnings.catch_warnings()
warning_context.__enter__()
warnings.simplefilter("error")
self.addCleanup(warning_context.__exit__)
self.mrcobject = MrcObject()
self.mrcobject._create_default_attributes()
def test_attributes_are_empty_after_init(self):
mrcobject = MrcObject()
assert mrcobject.header is None
assert mrcobject.extended_header is None
assert mrcobject.data is None
def test_check_writeable(self):
assert not self.mrcobject._read_only
self.mrcobject._check_writeable() # should not throw
self.mrcobject._read_only = True
with self.assertRaisesRegex(ValueError, 'MRC object is read-only'):
self.mrcobject._check_writeable()
def test_calling_setters_raises_exception_if_read_only(self):
self.mrcobject._read_only = True
def assert_read_only(setter, *args):
with self.assertRaisesRegex(ValueError, 'MRC object is read-only'):
setter(*args)
assert_read_only(self.mrcobject.set_extended_header, None)
assert_read_only(self.mrcobject.set_data, None)
assert_read_only(MrcObject.voxel_size.__set__, self.mrcobject, None)
assert_read_only(self.mrcobject.set_image_stack)
assert_read_only(self.mrcobject.set_volume)
assert_read_only(self.mrcobject.update_header_from_data)
assert_read_only(self.mrcobject.update_header_stats)
assert_read_only(self.mrcobject.reset_header_stats)
def test_default_header_is_correct(self):
header = self.mrcobject.header
assert header.map == b'MAP '
assert header.nversion == 20141
byte_order = '<' if sys.byteorder == 'little' else '>'
expected_machst = utils._byte_order_to_machine_stamp[byte_order]
assert np.array_equal(header.machst, expected_machst)
assert header.nsymbt == 0
assert header.ispg == constants.VOLUME_SPACEGROUP
assert header.cellb.alpha == 90.0
assert header.cellb.beta == 90.0
assert header.cellb.gamma == 90.0
assert header.mapc == 1
assert header.mapr == 2
assert header.maps == 3
def test_default_extended_header_is_correct(self):
ext = self.mrcobject.extended_header
assert ext.size == 0
assert ext.dtype == 'V1'
def test_default_data_is_correct(self):
data = self.mrcobject.data
assert data.size == 0
assert data.dtype == 'i1'
def test_setting_header_attribute_raises_exception(self):
with self.assertRaisesRegex(AttributeError,
"can't set attribute|property .* has no setter"):
self.mrcobject.header = np.zeros(1)
def test_setting_extended_header_attribute_raises_exception(self):
with self.assertRaisesRegex(AttributeError,
"can't set attribute|property .* has no setter"):
self.mrcobject.extended_header = np.zeros(1)
def test_setting_data_attribute_raises_exception(self):
with self.assertRaisesRegex(AttributeError,
"can't set attribute|property .* has no setter"):
self.mrcobject.data = np.zeros(1)
def test_setting_extended_header(self):
assert self.mrcobject.header.nsymbt == 0
ext = np.empty((5, 10))
self.mrcobject.set_extended_header(ext)
assert self.mrcobject.extended_header is ext
assert self.mrcobject.header.nsymbt == ext.nbytes
def test_removing_extended_header(self):
ext = np.empty((5, 10))
self.mrcobject.set_extended_header(ext)
assert self.mrcobject.extended_header.size > 0
assert self.mrcobject.header.nsymbt > 0
self.mrcobject.set_extended_header(np.empty(0))
assert self.mrcobject.extended_header.size == 0
assert self.mrcobject.header.nsymbt == 0
def test_replacing_extended_header_different_size(self):
ext = np.array('example extended header', dtype='S')
self.mrcobject.set_extended_header(ext)
assert self.mrcobject.extended_header is ext
assert self.mrcobject.header.nsymbt == ext.nbytes
ext2 = np.array('second example extended header', dtype='S')
self.mrcobject.set_extended_header(ext2)
assert self.mrcobject.extended_header is ext2
assert self.mrcobject.header.nsymbt == ext2.nbytes
def test_replacing_extended_header_same_size(self):
ext = np.array('example extended header', dtype='S')
self.mrcobject.set_extended_header(ext)
assert self.mrcobject.extended_header is ext
assert self.mrcobject.header.nsymbt == ext.nbytes
ext2 = np.array('EXAMPLE EXTENDED HEADER', dtype='S')
self.mrcobject.set_extended_header(ext2)
assert self.mrcobject.extended_header is ext2
assert self.mrcobject.header.nsymbt == ext2.nbytes
def test_header_is_correct_for_2d_data(self):
x, y = 3, 2
data = np.arange(y * x, dtype=np.int16).reshape(y, x)
self.mrcobject.set_data(data)
assert self.mrcobject.is_single_image()
header = self.mrcobject.header
assert header.ispg == constants.IMAGE_STACK_SPACEGROUP
assert header.nx == header.mx == x
assert header.ny == header.my == y
assert header.nz == header.mz == 1
def test_switching_2d_data_to_image_stack_raises_exception(self):
self.mrcobject.set_data(np.arange(6, dtype=np.int16).reshape(2, 3))
with self.assertRaises(ValueError):
self.mrcobject.set_image_stack()
def test_switching_2d_data_to_volume_raises_exception(self):
self.mrcobject.set_data(np.arange(6, dtype=np.int16).reshape(2, 3))
with self.assertRaises(ValueError):
self.mrcobject.set_volume()
def test_header_is_correct_for_3d_data(self):
x, y, z = 4, 3, 2
self.mrcobject.set_data(np.arange(z * y * x, dtype=np.int16)
.reshape(z, y, x))
assert self.mrcobject.is_volume()
header = self.mrcobject.header
assert header.ispg == constants.VOLUME_SPACEGROUP
assert header.nx == header.mx == x
assert header.ny == header.my == y
assert header.nz == header.mz == z
def test_switching_volume_to_image_stack(self):
self.mrcobject.set_data(np.arange(12, dtype=np.int16).reshape(2, 2, 3))
assert self.mrcobject.is_volume()
self.mrcobject.set_image_stack()
assert self.mrcobject.is_image_stack()
assert self.mrcobject.header.ispg == constants.IMAGE_STACK_SPACEGROUP
assert self.mrcobject.header.nz == 2
assert self.mrcobject.header.mz == 1
def test_can_call_set_volume_when_already_a_volume(self):
self.mrcobject.set_data(np.arange(12, dtype=np.int16).reshape(2, 2, 3))
assert self.mrcobject.is_volume()
self.mrcobject.set_volume()
assert self.mrcobject.is_volume()
def test_switching_image_stack_to_volume(self):
self.mrcobject.set_data(np.arange(12, dtype=np.int16).reshape(2, 2, 3))
assert self.mrcobject.is_volume()
self.mrcobject.set_image_stack()
assert self.mrcobject.is_image_stack()
self.mrcobject.set_volume()
assert self.mrcobject.is_volume()
assert self.mrcobject.header.ispg == constants.VOLUME_SPACEGROUP
assert self.mrcobject.header.nz == self.mrcobject.header.mz == 2
def test_can_call_set_image_stack_when_already_an_image_stack(self):
self.mrcobject.set_data(np.arange(12, dtype=np.int16).reshape(2, 2, 3))
self.mrcobject.set_image_stack()
assert self.mrcobject.is_image_stack()
self.mrcobject.set_image_stack()
assert self.mrcobject.is_image_stack()
def test_image_stack_with_new_3d_data_is_still_image_stack(self):
self.mrcobject.set_data(np.arange(12, dtype=np.int16).reshape(2, 2, 3))
self.mrcobject.set_image_stack()
assert self.mrcobject.is_image_stack()
self.mrcobject.set_data(np.arange(24, dtype=np.int16).reshape(2, 3, 4))
assert self.mrcobject.is_image_stack()
def test_header_is_correct_for_4d_data(self):
x, y, z, nvol = 3, 4, 5, 6
vstack = (np.arange(nvol * z * y * x, dtype=np.int16)
.reshape(nvol, z, y, x))
self.mrcobject.set_data(vstack)
assert self.mrcobject.is_volume_stack()
header = self.mrcobject.header
assert header.ispg == constants.VOLUME_STACK_SPACEGROUP
assert header.nx == header.mx == x
assert header.ny == header.my == y
assert header.nz == z * nvol
assert header.mz == z
def test_volume_stack_spacegroup_is_preserved_for_4d_data(self):
x, y, z, nvol = 3, 4, 5, 6
vstack = (np.arange(nvol * z * y * x, dtype=np.int16)
.reshape(nvol, z, y, x))
self.mrcobject.set_data(vstack)
spacegroup = 602
self.mrcobject.header.ispg = spacegroup
assert self.mrcobject.is_volume_stack()
self.mrcobject.set_data(vstack.copy().reshape(x, z, y, nvol))
assert self.mrcobject.is_volume_stack()
assert self.mrcobject.header.ispg == spacegroup
def test_switching_4d_data_to_image_stack_raises_exception(self):
self.mrcobject.set_data(np.arange(24, dtype=np.int16)
.reshape(2, 2, 2, 3))
with self.assertRaises(ValueError):
self.mrcobject.set_image_stack()
def test_switching_4d_data_to_volume_raises_exception(self):
self.mrcobject.set_data(np.arange(24, dtype=np.int16)
.reshape(2, 2, 2, 3))
with self.assertRaises(ValueError):
self.mrcobject.set_volume()
def test_1d_data_raises_exception(self):
with self.assertRaises(ValueError):
self.mrcobject.set_data(np.arange(2, dtype=np.int16))
def test_5d_data_raises_exception(self):
with self.assertRaises(ValueError):
self.mrcobject.set_data(np.arange(2, dtype=np.int16)
.reshape(1, 1, 1, 1, 2))
def assert_dtype_raises_exception(self, data):
with self.assertRaisesRegex(ValueError, 'dtype'):
self.mrcobject.set_data(data)
def test_complex256_dtype_raises_exception(self):
# complex256 only exists on some platforms
if hasattr(np, 'complex256'):
data = np.arange(6, dtype=np.complex256).reshape(3, 2)
self.assert_dtype_raises_exception(data)
def test_complex128_dtype_raises_exception(self):
data = np.arange(6, dtype=np.complex128).reshape(3, 2)
self.assert_dtype_raises_exception(data)
def test_float64_dtype_raises_exception(self):
data = np.arange(6, dtype=np.float64).reshape(3, 2)
self.assert_dtype_raises_exception(data)
def test_int32_dtype_raises_exception(self):
data = np.arange(6, dtype=np.int32).reshape(3, 2)
self.assert_dtype_raises_exception(data)
def test_int8_dtype_is_preserved_in_mode_0(self):
data = np.arange(6, dtype=np.int8).reshape(3, 2)
self.mrcobject.set_data(data)
assert self.mrcobject.data.dtype == np.int8
assert self.mrcobject.header.mode == 0
def test_int16_dtype_is_preserved_in_mode_1(self):
data = np.arange(6, dtype=np.int16).reshape(3, 2)
self.mrcobject.set_data(data)
assert self.mrcobject.data.dtype == np.int16
assert self.mrcobject.header.mode == 1
def test_float32_dtype_is_preserved_in_mode_2(self):
data = np.arange(6, dtype=np.float32).reshape(3, 2)
self.mrcobject.set_data(data)
assert self.mrcobject.data.dtype == np.float32
assert self.mrcobject.header.mode == 2
def test_complex64_dtype_is_preserved_in_mode_4(self):
data = np.arange(6, dtype=np.complex64).reshape(3, 2)
# Suppress complex casting warnings from statistics calculations
with warnings.catch_warnings():
warnings.simplefilter("ignore", np.ComplexWarning)
self.mrcobject.set_data(data)
assert self.mrcobject.data.dtype == np.complex64
assert self.mrcobject.header.mode == 4
def test_uint16_dtype_is_preserved_in_mode_6(self):
data = np.arange(6, dtype=np.uint16).reshape(3, 2)
self.mrcobject.set_data(data)
assert self.mrcobject.data.dtype == np.uint16
assert self.mrcobject.header.mode == 6
def test_float16_dtype_is_preserved_in_mode_12(self):
data = np.arange(6, dtype=np.float16).reshape(3, 2)
self.mrcobject.set_data(data)
assert self.mrcobject.data.dtype == np.float16
assert self.mrcobject.header.mode == 12
def test_uint8_dtype_is_widened_in_mode_6(self):
data = np.arange(6, dtype=np.uint8).reshape(3, 2)
self.mrcobject.set_data(data)
assert self.mrcobject.data.dtype == np.uint16
assert self.mrcobject.header.mode == 6
def test_data_is_not_copied_unnecessarily(self):
data = np.arange(6, dtype=np.int16).reshape(1, 2, 3)
self.mrcobject.set_data(data)
# Identity assertion fails with python3-numpy 1.24.2, so
# replace with an equality assertion assert
# This should be reverted eventually
# self.mrcobject.data is data
assert np.array_equal(self.mrcobject.data, data)
def test_header_byte_order_is_unchanged_by_data_with_native_order(self):
data = np.arange(6, dtype=np.float32).reshape(3, 2)
header = self.mrcobject.header
original_mapc = int(header.mapc)
assert utils.byte_orders_equal(header.mode.dtype.byteorder,
data.dtype.byteorder)
self.mrcobject.set_data(data)
assert utils.byte_orders_equal(header.mode.dtype.byteorder,
data.dtype.byteorder)
assert header.mode == 2
assert header.mapc == original_mapc
def test_header_byte_order_is_unchanged_by_data_with_no_order(self):
data = np.arange(6, dtype=np.int8).reshape(3, 2)
header = self.mrcobject.header
original_mapc = int(header.mapc)
original_order = header.mode.dtype.byteorder
self.mrcobject.set_data(data)
assert header.mode.dtype.byteorder == original_order
assert header.mode == 0
assert header.mapc == original_mapc
def test_header_byte_order_is_changed_by_data_with_opposite_order(self):
data = np.arange(6, dtype=np.float32).reshape(3, 2)
orig_byte_order = data.dtype.byteorder
header = self.mrcobject.header
original_mapc = int(header.mapc)
assert utils.byte_orders_equal(header.mode.dtype.byteorder,
orig_byte_order)
self.mrcobject.set_data(data.newbyteorder())
assert not utils.byte_orders_equal(header.mode.dtype.byteorder,
orig_byte_order)
assert header.mode == 2
assert header.mapc == original_mapc
self.mrcobject.set_data(data)
assert utils.byte_orders_equal(header.mode.dtype.byteorder,
orig_byte_order)
assert header.mode == 2
assert header.mapc == original_mapc
def test_non_c_contiguous_data_is_made_c_contiguous(self):
x, y, z = 4, 3, 2
data = np.arange(z * y * x, dtype=np.int16).reshape(z, y, x).transpose()
assert data.flags.c_contiguous == False
self.mrcobject.set_data(data)
assert self.mrcobject.data.flags.c_contiguous == True
assert self.mrcobject.data is not data
def test_new_header_stats_are_undetermined(self):
header = self.mrcobject.header
assert header.dmax < header.dmin
assert header.dmean < header.dmin
assert header.dmean < header.dmax
assert header.rms < 0
def test_stats_are_updated_for_new_data(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)
self.mrcobject.set_data(vol)
header = self.mrcobject.header
assert header.dmin == np.float32(vol.min())
assert header.dmax == np.float32(vol.max())
assert header.dmean == np.float32(vol.mean(dtype=np.float32))
assert header.rms == np.float32(vol.std(dtype=np.float32))
def test_stats_are_updated_on_request(self):
x, y = 4, 3
zeros = np.zeros(x * y, dtype=np.int16).reshape(y, x)
data = np.arange(x * y, dtype=np.int16).reshape(y, x)
# Set data with zeros
self.mrcobject.set_data(zeros)
# Now replace with non-zero data, in place
self.mrcobject.data[:] = data[:]
# Header values should have been set from the original zeros
header = self.mrcobject.header
assert header.dmin == 0.0
assert header.dmax == 0.0
assert header.dmean == 0.0
assert header.rms == 0.0
# Now explicitly update the stats
self.mrcobject.update_header_stats()
assert header.dmin == np.float32(data.min())
assert header.dmax == np.float32(data.max())
assert header.dmean == np.float32(data.mean(dtype=np.float64))
assert header.rms == np.float32(data.std())
def test_reset_header_stats_are_undetermined(self):
self.mrcobject.set_data(np.arange(12, dtype=np.float32).reshape(3, 4))
header = self.mrcobject.header
assert header.dmax > header.dmin
assert header.dmean > header.dmin
assert header.dmean < header.dmax
assert header.rms > 0
self.mrcobject.reset_header_stats()
assert header.dmax < header.dmin
assert header.dmean < header.dmin
assert header.dmean < header.dmax
assert header.rms < 0
def test_header_stats_are_undetermined_after_setting_empty_data(self):
self.mrcobject.set_data(np.array((), dtype=np.float32).reshape((0, 0, 0)))
header = self.mrcobject.header
assert header.dmax < header.dmin
assert header.dmean < header.dmin
assert header.dmean < header.dmax
assert header.rms < 0
def test_header_stats_are_undetermined_after_setting_empty_complex_data(self):
self.mrcobject.set_data(np.array((), dtype=np.complex64).reshape((0, 0, 0)))
header = self.mrcobject.header
assert header.dmax < header.dmin
assert header.dmean < header.dmin
assert header.dmean < header.dmax
assert header.rms < 0
def test_header_stats_setting_complex_data(self):
data = np.arange(6, dtype=np.complex64).reshape(3, 2)
with warnings.catch_warnings(record=True) as w:
# Hack for warnings bug in Python 2.7
# See https://stackoverflow.com/q/56821539
if sys.version_info[0:2] == (2, 7):
from mrcfile import mrcobject
if hasattr(mrcobject, '__warningregistry__'):
mrcobject.__warningregistry__.clear()
warnings.simplefilter("always")
self.mrcobject.set_data(data)
assert len(w) == 0
header = self.mrcobject.header
assert header.dmax < header.dmin
assert header.dmean < header.dmin
assert header.dmean < header.dmax
self.assertAlmostEqual(header.rms, np.float32(data.std()))
def test_warning_for_stats_with_nan(self):
data = np.arange(6, dtype=np.float32).reshape(3, 2)
data[1,1] = np.nan
with warnings.catch_warnings(record=True) as w:
# Hack for warnings bug in Python 2.7
# See https://stackoverflow.com/q/56821539
if sys.version_info[0:2] == (2, 7):
from mrcfile import mrcobject
if hasattr(mrcobject, '__warningregistry__'):
mrcobject.__warningregistry__.clear()
warnings.simplefilter("always")
self.mrcobject.set_data(data)
assert len(w) >= 1, str(len(w)) + " warnings issued"
assert "Data array contains NaN values" in [str(i.message) for i in w]
header = self.mrcobject.header
assert np.isnan(header.dmin)
assert np.isnan(header.dmax)
assert np.isnan(header.dmean)
assert np.isnan(header.rms)
def test_warning_for_stats_with_inf(self):
data = np.arange(6, dtype=np.float32).reshape(3, 2)
data[0,1] = np.inf
data[1,1] = -np.inf
with warnings.catch_warnings(record=True) as w:
warnings.simplefilter("always")
self.mrcobject.set_data(data)
assert len(w) >= 1, str(len(w)) + " warnings issued"
assert "Data array contains infinite values" in [str(i.message) for i in w]
header = self.mrcobject.header
assert header.dmin == np.NINF
assert header.dmax == np.inf
assert np.isnan(header.dmean)
assert np.isnan(header.rms)
def test_getting_voxel_size(self):
# Need to set some data first to avoid zero division error
x, y, z = 4, 3, 1
data = np.arange(x * y, dtype=np.int16).reshape(z, y, x)
self.mrcobject.set_data(data)
voxel_size = self.mrcobject.voxel_size
assert voxel_size.x == 0.0
assert voxel_size.y == 0.0
assert voxel_size.z == 0.0
assert not voxel_size.flags.writeable
with self.assertRaisesRegex(ValueError, "read-only"):
voxel_size.x = 1.1
def test_setting_voxel_size_as_single_number(self):
x, y, z = 4, 3, 1
data = np.arange(x * y, dtype=np.int16).reshape(z, y, x)
mrcobj = self.mrcobject
mrcobj.set_data(data)
assert mrcobj.voxel_size.x == 0.0
assert mrcobj.voxel_size.y == 0.0
assert mrcobj.voxel_size.z == 0.0
voxel_size = 1.530
mrcobj.voxel_size = voxel_size
self.assertAlmostEqual(mrcobj.voxel_size.x, voxel_size, places=3)
self.assertAlmostEqual(mrcobj.voxel_size.y, voxel_size, places=3)
self.assertAlmostEqual(mrcobj.voxel_size.z, voxel_size, places=3)
def test_setting_voxel_size_as_tuple(self):
x, y, z = 4, 3, 1
data = np.arange(x * y, dtype=np.int16).reshape(z, y, x)
mrcobj = self.mrcobject
mrcobj.set_data(data)
assert mrcobj.voxel_size.x == 0.0
assert mrcobj.voxel_size.y == 0.0
assert mrcobj.voxel_size.z == 0.0
voxel_size = (1.1, 2.2, 3.3)
mrcobj.voxel_size = voxel_size
# Check the new (re-calculated) values
self.assertAlmostEqual(mrcobj.voxel_size.x, voxel_size[0], places=3)
self.assertAlmostEqual(mrcobj.voxel_size.y, voxel_size[1], places=3)
self.assertAlmostEqual(mrcobj.voxel_size.z, voxel_size[2], places=3)
# Also check the header values
assert mrcobj.header.mx == 4
assert mrcobj.header.my == 3
assert mrcobj.header.mz == 1
self.assertAlmostEqual(mrcobj.header.cella.x, 4.4, places=3)
self.assertAlmostEqual(mrcobj.header.cella.y, 6.6, places=3)
self.assertAlmostEqual(mrcobj.header.cella.z, 3.3, places=3)
def test_setting_voxel_size_as_modified_array(self):
x, y, z = 4, 3, 1
data = np.arange(x * y, dtype=np.int16).reshape(z, y, x)
mrcobject = self.mrcobject
mrcobject.set_data(data)
assert mrcobject.voxel_size.x == 0.0
assert mrcobject.voxel_size.y == 0.0
assert mrcobject.voxel_size.z == 0.0
voxel_size = mrcobject.voxel_size
with self.assertRaisesRegex(ValueError, "read-only"):
voxel_size.x = 1.1
voxel_size.flags.writeable = True
voxel_size.x = 1.1
voxel_size.y = 2.2
voxel_size.z = 3.3
mrcobject.voxel_size = voxel_size
self.assertAlmostEqual(mrcobject.voxel_size.x, 1.1, places=3)
self.assertAlmostEqual(mrcobject.voxel_size.y, 2.2, places=3)
self.assertAlmostEqual(mrcobject.voxel_size.z, 3.3, places=3)
def test_getting_nstart(self):
nstart = self.mrcobject.nstart
assert nstart.x == 0
assert nstart.y == 0
assert nstart.z == 0
assert not nstart.flags.writeable
with self.assertRaisesRegex(ValueError, "read-only"):
nstart.x = 1
def test_setting_nstart_as_tuple(self):
x, y, z = 20, 20, 20
data = np.arange(x * y * z, dtype=np.int16).reshape(z, y, x)
mrcobj = self.mrcobject
mrcobj.set_data(data)
assert mrcobj.header.nxstart == 0
assert mrcobj.header.nystart == 0
assert mrcobj.header.nzstart == 0
offsets = (-1, -5, -10)
mrcobj.nstart = offsets
assert mrcobj.header.nxstart == offsets[0]
assert mrcobj.header.nystart == offsets[1]
assert mrcobj.header.nzstart == offsets[2]
def test_setting_nstart_as_single_number(self):
x, y, z = 20, 20, 20
data = np.arange(x * y * z, dtype=np.int16).reshape(z, y, x)
mrcobj = self.mrcobject
mrcobj.set_data(data)
assert mrcobj.header.nxstart == 0
assert mrcobj.header.nystart == 0
assert mrcobj.header.nzstart == 0
offset = -10
mrcobj.nstart = offset
assert mrcobj.header.nxstart == offset
assert mrcobj.header.nystart == offset
assert mrcobj.header.nzstart == offset
def test_setting_nstart_as_modified_array(self):
x, y, z = 20, 20, 20
data = np.arange(x * y * z, dtype=np.int16).reshape(z, y, x)
mrcobj = self.mrcobject
mrcobj.set_data(data)
assert mrcobj.header.nxstart == 0
assert mrcobj.header.nystart == 0
assert mrcobj.header.nzstart == 0
offsets = mrcobj.nstart
offsets.flags.writeable = True
offsets.x = 4
offsets.y = 100
offsets.z = -5
mrcobj.nstart = offsets
assert mrcobj.header.nxstart == 4
assert mrcobj.header.nystart == 100
assert mrcobj.header.nzstart == -5
def test_new_header_contains_creator_label(self):
assert self.mrcobject.header.nlabl == 1
label = self.mrcobject.header.label[0].decode()
assert label.startswith('Created by mrcfile.py ')
time = label[-40:].strip()
datetime.strptime(time, '%Y-%m-%d %H:%M:%S') # will throw if bad format
def test_get_labels(self):
labels = self.mrcobject.get_labels()
assert len(labels) == 1
assert labels[0].startswith('Created by mrcfile.py ')
def test_get_labels_strips_unprintable_characters(self):
self.mrcobject.header.label[0] = b'Test \nlabel\x01\x00'
labels = self.mrcobject.get_labels()
assert labels[0] == 'Test label'
def test_add_label_with_normal_string(self):
self.mrcobject.add_label('Test label')
assert self.mrcobject.header.nlabl == 2
labels = self.mrcobject.get_labels()
assert len(labels) == 2
assert labels[0].startswith('Created by mrcfile.py ')
assert labels[1] == 'Test label'
def test_adding_too_long_label_raises_exception(self):
with self.assertRaises(ValueError):
self.mrcobject.add_label('-' * 81)
def test_adding_more_than_ten_labels_raises_exception(self):
self.mrcobject.header.nlabl = 10
with self.assertRaises(IndexError):
self.mrcobject.add_label('Test label')
def test_adding_non_ascii_label_raises_exception(self):
with self.assertRaisesRegex(ValueError, "non-printable or non-ASCII"):
self.mrcobject.add_label('Test label £')
def test_adding_non_printable_label_raises_exception(self):
with self.assertRaisesRegex(ValueError, "non-printable or non-ASCII"):
self.mrcobject.add_label('Test label \n\x00')
def test_print_header(self):
print_stream = io.StringIO()
self.mrcobject.print_header(print_stream)
output = print_stream.getvalue()
print_stream.close()
out_lines = output.split('\n')
# Number of lines is different in python 2 and 3 due to different numpy
# output formatting - just check for both possibilities for now
assert len(out_lines) == 32 or len(out_lines) == 34
def test_validate(self):
self.mrcobject.header.ispg = -10
print_stream = io.StringIO()
result = self.mrcobject.validate(print_file=print_stream)
assert result == False
print_output = print_stream.getvalue()
assert "Header field 'ispg' is negative" in print_output
if __name__ == '__main__':
unittest.main()
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