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from __future__ import absolute_import, division
import pytest
import numpy as np
from numpy.testing import (assert_almost_equal,
assert_equal)
from gridData import Grid, CCP4
from . import datafiles
@pytest.fixture(scope="module")
def g():
return Grid(datafiles.CCP4)
def test_ccp4(g):
POINTS = 192
assert_equal(g.grid.flat, np.arange(1, POINTS+1))
assert_equal(g.grid.size, POINTS)
assert_almost_equal(g.delta, [3./4, .5, 2./3])
assert_equal(g.origin, np.zeros(3))
@pytest.fixture(scope="module")
def ccp4data():
return CCP4.CCP4(datafiles.CCP4_1JZV)
@pytest.mark.parametrize('name,value', [
('nc', 96),
('nr', 76),
('ns', 70),
('mode', 2),
('ncstart', -4),
('nrstart', -23),
('nsstart', 102),
('nx', 84),
('ny', 84),
('nz', 160),
('xlen', 45.79999923706055),
('ylen', 45.79999923706055),
('zlen', 89.6500015258789),
('alpha', 90.0),
('beta', 90.0),
('gamma', 90.0),
('mapc', 2),
('mapr', 1),
('maps', 3),
('amin', -0.9930942058563232),
('amax', 9.050403594970703),
('amean', -0.0005801090155728161),
('ispg', 92),
('nsymbt', 640),
('lskflg', 0),
('bsaflag', '@'),
('skwmat', None),
('skwtrn', None),
('endianness', 'little'),
('arms', 0.4034915268421173),
('nlabl', 1),
('label', ' Map from fft '),
])
def test_ccp4_read_header(ccp4data, name, value):
if type(value) is float:
assert_almost_equal(ccp4data.header[name], value, decimal=6)
else:
assert_equal(ccp4data.header[name], value)
def test_byteorder():
with open(datafiles.CCP4, 'rb') as ccp4file:
flag = CCP4.CCP4._detect_byteorder(ccp4file)
assert flag in ("@", "=", "<"), "flag {} is not '<'".format(flag)
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