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#!/usr/bin/env python
# -*- coding: utf-8 -*-
#
# Generate "peak powder" from CrystFEL stream
#
# Copyright © 2017 Deutsches Elektronen-Synchrotron DESY,
# a research centre of the Helmholtz Association.
#
# Author:
# 2017 Alexandra Tolstikova <alexandra.tolstikova@desy.de>
#
import sys
import numpy as np
import h5py
from os.path import basename, splitext
with open(sys.argv[1], 'r') as stream:
reading_geometry = False
reading_chunks = False
reading_peaks = False
max_fs = -100500
max_ss = -100500
for line in stream:
if reading_chunks:
if line.startswith('End of peak list'):
reading_peaks = False
elif line.startswith(' fs/px ss/px (1/d)/nm^-1 Intensity Panel'):
reading_peaks = True
elif reading_peaks:
fs, ss, dump, intensity = [float(i) for i in line.split()[:4]]
powder[int(ss), int(fs)] += intensity
elif line.startswith('----- End geometry file -----'):
reading_geometry = False
powder = np.zeros((max_ss + 1, max_fs + 1))
elif reading_geometry:
try:
par, val = line.split('=')
if par.split('/')[-1].strip() == 'max_fs' and int(val) > max_fs:
max_fs = int(val)
elif par.split('/')[-1].strip() == 'max_ss' and int(val) > max_ss:
max_ss = int(val)
except ValueError:
pass
elif line.startswith('----- Begin geometry file -----'):
reading_geometry = True
elif line.startswith('----- Begin chunk -----'):
reading_chunks = True
f = h5py.File(splitext(basename(sys.argv[1]))[0]+'-powder.h5', 'w')
f.create_dataset('/data/data', data=powder)
f.close()
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