Source code for dials.util.nexus

from __future__ import annotations

from time import strftime

import h5py

from dials.util.nexus import nx_mx, nx_reflections




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





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





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)