def distribute_reflections_over_hkl_chunks(self, reflections):
'''Distribute reflections, according to their HKLs, over pre-set HKL chunks'''
total_reflection_count = reflections.size()
total_distributed_reflection_count = 0
if total_reflection_count > 0:
# set up two lists to be passed to the C++ extension: HKLs and chunk ids. It's basically a hash table to look up chunk ids by HKLs
hkl_list = flex.miller_index()
chunk_id_list = flex.int()
for i in range(len(self.hkl_split_set)):
for j in range(len(self.hkl_split_set[i])):
hkl = (int(self.hkl_split_set[i][j][0]),
int(self.hkl_split_set[i][j][1]),
int(self.hkl_split_set[i][j][2]))
hkl_list.append(hkl)
chunk_id_list.append(i)
# distribute reflections over hkl chunks, using a C++ extension
from xfel.merging import get_hkl_chunks_cpp
get_hkl_chunks_cpp(reflections, hkl_list, chunk_id_list,
self.hkl_chunks)
for chunk in self.hkl_chunks:
total_distributed_reflection_count += len(chunk)
self.logger.log(
"Distributed %d out of %d reflections" %
(total_distributed_reflection_count, total_reflection_count))
self.logger.log("Memory usage: %d MB" % get_memory_usage())
reflections.clear()
def distribute_reflections_over_hkl_chunks(self, reflections):
total_reflection_count = reflections.size()
total_distributed_reflection_count = 0
if total_reflection_count > 0:
# set up two lists to be passed to the C++ extension: hkl's and chunk ids. It's basically a hash table to look up chunk ids by hkl's
hkl_list = flex.miller_index()
chunk_id_list = flex.int()
for i in range(len(self.hkl_split_set)):
for j in range(len(self.hkl_split_set[i])):
hkl = (self.hkl_split_set[i][j][0], self.hkl_split_set[i][j][1], self.hkl_split_set[i][j][2])
hkl_list.append(hkl)
chunk_id_list.append(i)
# distribute reflections over hkl chunks
from xfel.merging import get_hkl_chunks_cpp
get_hkl_chunks_cpp(reflections, hkl_list, chunk_id_list, self.hkl_chunks)
for i in range(len(self.hkl_chunks)):
total_distributed_reflection_count += len(self.hkl_chunks[i])
self.mpi_log_write("\nRank %d managed to distribute %d out of %d reflections"%(self.rank, total_distributed_reflection_count, total_reflection_count))
self.mpi_log_write("\nRANK %d: %s"%(self.rank, get_memory_usage()))
reflections.clear()