Loading peakintegration/mantidtools.py +34 −0 Original line number Diff line number Diff line Loading @@ -83,6 +83,40 @@ def histogram_grid(hist_ws): return points, edges ############################################################################### # reading integration files def read_integration_file(file): data = [] headi = 1e12 has_mnp = False with open(file, "r") as file: lines = file.readlines() if 'M N P' in lines: has_mnp = True for i,line in enumerate(lines): if '0 NRUN DETNUM CHI PHI OMEGA MONCNT' in line: headi = i continue if i<headi+3: continue data.append(line) hkl = [] mnp = [] I = [] peak_ids = [] for line in data: words = line.split() peak_ids.append(int(words[1])) hkl.append(f'{words[2]},{words[3]},{words[4]}') if has_mnp: mnp.append(f'{words[5]},{words[6]},{words[7]}') I.append(float(words[17])) else: I.append(float(words[14])) return hkl, mnp, I ############################################################################### # detector mask Loading Loading
peakintegration/mantidtools.py +34 −0 Original line number Diff line number Diff line Loading @@ -83,6 +83,40 @@ def histogram_grid(hist_ws): return points, edges ############################################################################### # reading integration files def read_integration_file(file): data = [] headi = 1e12 has_mnp = False with open(file, "r") as file: lines = file.readlines() if 'M N P' in lines: has_mnp = True for i,line in enumerate(lines): if '0 NRUN DETNUM CHI PHI OMEGA MONCNT' in line: headi = i continue if i<headi+3: continue data.append(line) hkl = [] mnp = [] I = [] peak_ids = [] for line in data: words = line.split() peak_ids.append(int(words[1])) hkl.append(f'{words[2]},{words[3]},{words[4]}') if has_mnp: mnp.append(f'{words[5]},{words[6]},{words[7]}') I.append(float(words[17])) else: I.append(float(words[14])) return hkl, mnp, I ############################################################################### # detector mask Loading