diff options
| -rwxr-xr-x | scripts/sum-peaks | 71 |
1 files changed, 38 insertions, 33 deletions
diff --git a/scripts/sum-peaks b/scripts/sum-peaks index eccb9fc6..5b528661 100755 --- a/scripts/sum-peaks +++ b/scripts/sum-peaks @@ -7,41 +7,46 @@ # a research centre of the Helmholtz Association. # # Author: -# 2017 Thomas White <taw@physics.org> +# 2017 Alexandra Tolstikova <alexandra.tolstikova@desy.de> # +import sys import numpy as np import h5py -import sys -import re - -f = open(sys.argv[1], 'r') -powder = np.zeros((512,1024), dtype=float) -peaks = [] - -prog1 = re.compile("^\s*([\d\-\.]+)\s+([\d\-\.]+)\s+[\d\-\.]+\s+([\d\-\.]+)\s+\S+$") - -while True: - - fline = f.readline() - if not fline: - break - - if fline == '----- End chunk -----\n': - if len(peaks) > 10: - for p in peaks: - powder[p[1],p[0]] += p[2] - peaks = [] - - match = prog1.match(fline) - if match: - fs = int(float(match.group(1))) - ss = int(float(match.group(2))) - intensity = float(match.group(3)) - peaks.append((fs,ss,intensity)) - +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() - -fh = h5py.File("summed-peaks.h5", "w") -fh.create_dataset("/data", (512,1024), data=powder) -fh.close() |