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)
