Add ad hoc attempt at allow storage of multiple crystal models when w…

…riting a serial crystallographic dataset to NXmx

src/dxtbx/format/nxmx_writer.py

@@ -802,6 +802,22 @@ def setup_axis(name, vector, main_axis=False):
  )
  self.handle["entry/instrument/detector/frame_time"].attrs["units"] = "s"
 
+ def setup_multi_crystal(self, multi_crystal_group_name):
+ self.handle["entry/sample"].create_group(multi_crystal_group_name)
+
+ def add_crystal(self, multi_crystal_group_name, crystal):
+ from dials.utils.nexus import nx_mx
+
+ # Assume this is the next crystal in the list, added after the last image
+ # was added
+ n_images = self.handle["entry/data/data"].shape[0]
+ nx_mx.dump_crystal(
+ self.handle["entry/sample/" + multi_crystal_group_name],
+ crystal,
+ None,
+ "crystal%d" % (n_images - 1),
+ )
+
 
 def run(args):
  usage = "dials.python nxmx_writer.py <experiments OR image files>"