def exercise_dials_multi_indexer(nproc=None): template = "/Volumes/touro/data/i19/4sweep/56_Reza-H2-normalhem_100K_3.75mmAl/56-RezaH2-hem_%02i_#####.cbf" cwd = os.path.abspath(os.curdir) tmp_dir = os.path.abspath(open_tmp_directory()) os.chdir(tmp_dir) cryst = None wav = None samp = None from xia2.Handlers.Phil import PhilIndex PhilIndex.params.xia2.settings.trust_beam_centre = True from xia2.Modules.Indexer.DialsIndexer import DialsIndexer from xia2.Modules.Indexer.DialsIndexer import DialsIndexer indexer = DialsIndexer() indexer.set_working_directory(tmp_dir) for i in range(4): from dxtbx.datablock import DataBlockTemplateImporter importer = DataBlockTemplateImporter([template % (i + 1)]) datablocks = importer.datablocks imageset = datablocks[0].extract_imagesets()[0] indexer.add_indexer_imageset(imageset) from xia2.Schema.XCrystal import XCrystal from xia2.Schema.XWavelength import XWavelength from xia2.Schema.XSweep import XSweep from xia2.Schema.XSample import XSample if cryst is None or wav is None: cryst = XCrystal("CRYST1", None) wav = XWavelength("WAVE1", cryst, imageset.get_beam().get_wavelength()) samp = XSample("X1", cryst) directory, image = os.path.split(imageset.get_path(1)) sweep = XSweep('SWEEP1', wav, samp, directory=directory, image=image) indexer.add_indexer_sweep(sweep) indexer.index() assert approx_equal(indexer.get_indexer_cell(), (9.088, 12.415, 17.420, 90.000, 90.000, 90.000), eps=1e-2)
def exercise_dials_multi_indexer(nproc=None): template = "/Volumes/touro/data/i19/4sweep/56_Reza-H2-normalhem_100K_3.75mmAl/56-RezaH2-hem_%02i_#####.cbf" cwd = os.path.abspath(os.curdir) tmp_dir = os.path.abspath(open_tmp_directory()) os.chdir(tmp_dir) cryst = None wav = None samp = None from xia2.Handlers.Phil import PhilIndex PhilIndex.params.xia2.settings.trust_beam_centre = True from xia2.Modules.Indexer.DialsIndexer import DialsIndexer from xia2.Modules.Indexer.DialsIndexer import DialsIndexer indexer = DialsIndexer() indexer.set_working_directory(tmp_dir) for i in range(4): from dxtbx.datablock import DataBlockTemplateImporter importer = DataBlockTemplateImporter([template %(i+1)]) datablocks = importer.datablocks imageset = datablocks[0].extract_imagesets()[0] indexer.add_indexer_imageset(imageset) from xia2.Schema.XCrystal import XCrystal from xia2.Schema.XWavelength import XWavelength from xia2.Schema.XSweep import XSweep from xia2.Schema.XSample import XSample if cryst is None or wav is None: cryst = XCrystal("CRYST1", None) wav = XWavelength("WAVE1", cryst, imageset.get_beam().get_wavelength()) samp = XSample("X1", cryst) directory, image = os.path.split(imageset.get_path(1)) sweep = XSweep('SWEEP1', wav, samp, directory=directory, image=image) indexer.add_indexer_sweep(sweep) indexer.index() assert approx_equal( indexer.get_indexer_cell(), (9.088, 12.415, 17.420, 90.000, 90.000, 90.000), eps=1e-2)