Loading scripts/sas_temperdeleted 100644 → 0 +0 −57 Original line number Diff line number Diff line #!/usr/bin/env python r""" sas_temper __main__.py: this is where the action happens Oak Ridge National Laboratory, 2020 """ import sys import copy import time as tm import os import numpy as np # these are from this particular project import sas_temper.sas_temper_config as sa_config import sas_temper.modelconfig as modelconfig import sas_temper.parse_conf as parse_conf import sas_temper.output as output import sas_temper.sas_temper_engine as engine import sas_temper.sas_data as sas_data # will need to import material from sasview.src.sas.sascalc directories # the directories are all useful, but are not simple files in themselves # see if the program has been called correctly if len(sys.argv) < 2: raise Exception("No configuration file was specified") # parse the configuration file for the parameters #modelConf = modelconfig.ModelConfig() #sasTemperConf = sa_config.SAConfiguration() sasTemperConf, modelConf = parse_conf.parse_config(sys.argv[1]) # Get the data from the data file experimentalData = sas_data.SAData(sasTemperConf.datafile,sasTemperConf.qmin,sasTemperConf.qmax) # This is the outer control loop to generate the set of results results = np.empty(sasTemperConf.models, "object") models = np.empty(sasTemperConf.models, "object") models_usm = np.empty(sasTemperConf.models, "object") # seed the random number generator np.random.seed(int(tm.time()) + int(os.getpid())) # this loop creates the set of models for i in range(0,sasTemperConf.models): results[i], models[i], models_usm[i] = engine.sa_control(sasTemperConf,modelConf,experimentalData) #output the results of the single fitting output.outputSingleRes(sasTemperConf, experimentalData, models[i], i, results[i]) # and output the analysis of the set of models found output.outputSetRes(sasTemperConf, results) Loading
scripts/sas_temperdeleted 100644 → 0 +0 −57 Original line number Diff line number Diff line #!/usr/bin/env python r""" sas_temper __main__.py: this is where the action happens Oak Ridge National Laboratory, 2020 """ import sys import copy import time as tm import os import numpy as np # these are from this particular project import sas_temper.sas_temper_config as sa_config import sas_temper.modelconfig as modelconfig import sas_temper.parse_conf as parse_conf import sas_temper.output as output import sas_temper.sas_temper_engine as engine import sas_temper.sas_data as sas_data # will need to import material from sasview.src.sas.sascalc directories # the directories are all useful, but are not simple files in themselves # see if the program has been called correctly if len(sys.argv) < 2: raise Exception("No configuration file was specified") # parse the configuration file for the parameters #modelConf = modelconfig.ModelConfig() #sasTemperConf = sa_config.SAConfiguration() sasTemperConf, modelConf = parse_conf.parse_config(sys.argv[1]) # Get the data from the data file experimentalData = sas_data.SAData(sasTemperConf.datafile,sasTemperConf.qmin,sasTemperConf.qmax) # This is the outer control loop to generate the set of results results = np.empty(sasTemperConf.models, "object") models = np.empty(sasTemperConf.models, "object") models_usm = np.empty(sasTemperConf.models, "object") # seed the random number generator np.random.seed(int(tm.time()) + int(os.getpid())) # this loop creates the set of models for i in range(0,sasTemperConf.models): results[i], models[i], models_usm[i] = engine.sa_control(sasTemperConf,modelConf,experimentalData) #output the results of the single fitting output.outputSingleRes(sasTemperConf, experimentalData, models[i], i, results[i]) # and output the analysis of the set of models found output.outputSetRes(sasTemperConf, results)