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