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Source code for dials.util.nexus
from __future__ import absolute_import, division, print_function
import h5py
from dials.util.nexus import nx_reflections, nx_mx
from time import strftime
[docs]def get_entry(filename, mode="a"):
handle = h5py.File(filename, mode)
if "entry" in handle:
entry = handle["entry"]
assert entry.attrs["NX_class"] == "NXentry"
else:
entry = handle.create_group("entry")
entry.attrs["NX_class"] = "NXentry"
handle.attrs["file_name"] = filename
handle.attrs["file_time"] = strftime("%Y-%m-%dT%H:%M:%S")
return entry
[docs]def load(filename):
entry = get_entry(filename, "r")
ref, exp_index = nx_reflections.load(entry)
exp = nx_mx.load(entry, exp_index)
return exp, ref
[docs]def dump(experiments, reflections, params):
filename = params.hklout
entry = get_entry(filename, "w")
experiments = nx_mx.dump(entry, experiments, params)
nx_reflections.dump(entry, reflections, experiments)
