def test_merge_mtz2(self):
os.chdir(
self.thisd
) # Need as otherwise tests that happen in other directories change os.cwd()
mtz1 = os.path.join(self.ample_share, "examples", 'toxd-example',
'input', '1dtx.mtz')
mtz1_labels = ['FP', 'SIGFP']
mtz2 = os.path.join(self.ample_share, "examples", 'toxd-example',
'input', '1dtx.mtz')
mtz2_labels = ['FP', 'SIGFP']
merged_mtz, mtz_labels = cphasematch.merge_mtz(mtz1, mtz1_labels, mtz2,
mtz2_labels)
# Get all the labels
miller_dict = iotbx.mtz.object(
file_name=merged_mtz).as_miller_arrays_dict()
merged_labels = set([d[2] for d in miller_dict.keys()])
# An integer equal to the file number should have been added
ref_labels = set(['FP', 'SIGFP', 'FP2', 'SIGFP2'])
self.assertEqual(len(merged_labels - ref_labels), 0,
"Labels were not identical")
os.unlink(merged_mtz)
return
def test_merge_mtz(self):
os.chdir(self.thisd) # Need as otherwise tests that happen in other directories change os.cwd()
mtz1 = os.path.join(self.ample_share, "examples", 'toxd-example', 'input', '1dtx.mtz')
mtz1_labels = ['FP', 'SIGFP']
mtz2 = os.path.join(self.testfiles_dir, "phaser_loc0_ALL_c1_tl49_r1_allatom_UNMOD.1.mtz")
mtz2_labels = ['FC', 'PHIC']
merged_mtz, mtz_labels = cphasematch.merge_mtz(mtz1, mtz1_labels, mtz2, mtz2_labels)
input_labels = set(mtz1_labels + mtz2_labels)
# Get all the labels
miller_dict = iotbx.mtz.object(file_name=merged_mtz).as_miller_arrays_dict()
ref_labels = set([d[2] for d in miller_dict.keys()])
self.assertEqual(len(input_labels - ref_labels), 0, "Labels were not identical")
os.unlink(merged_mtz)
return
def test_merge_mtz2(self):
os.chdir(self.thisd) # Need as otherwise tests that happen in other directories change os.cwd()
mtz1 = os.path.join(self.ample_share, "examples", 'toxd-example', 'input', '1dtx.mtz')
mtz1_labels = ['FP', 'SIGFP']
mtz2 = os.path.join(self.ample_share, "examples", 'toxd-example', 'input', '1dtx.mtz')
mtz2_labels = ['FP', 'SIGFP']
merged_mtz, mtz_labels = cphasematch.merge_mtz(mtz1, mtz1_labels, mtz2, mtz2_labels)
# Get all the labels
miller_dict = iotbx.mtz.object(file_name=merged_mtz).as_miller_arrays_dict()
merged_labels = set([d[2] for d in miller_dict.keys()])
# An integer equal to the file number should have been added
ref_labels = set(['FP','SIGFP','FP2', 'SIGFP2'])
self.assertEqual(len(merged_labels - ref_labels), 0, "Labels were not identical")
os.unlink(merged_mtz)
return
def test_merge_mtz(self):
os.chdir(
self.thisd
) # Need as otherwise tests that happen in other directories change os.cwd()
mtz1 = os.path.join(self.ample_share, "examples", 'toxd-example',
'input', '1dtx.mtz')
mtz1_labels = ['FP', 'SIGFP']
mtz2 = os.path.join(self.testfiles_dir,
"phaser_loc0_ALL_c1_tl49_r1_allatom_UNMOD.1.mtz")
mtz2_labels = ['FC', 'PHIC']
merged_mtz, mtz_labels = cphasematch.merge_mtz(mtz1, mtz1_labels, mtz2,
mtz2_labels)
input_labels = set(mtz1_labels + mtz2_labels)
# Get all the labels
miller_dict = iotbx.mtz.object(
file_name=merged_mtz).as_miller_arrays_dict()
ref_labels = set([d[2] for d in miller_dict.keys()])
self.assertEqual(len(input_labels - ref_labels), 0,
"Labels were not identical")
os.unlink(merged_mtz)
return