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r"""

sas_temper

test_coupled_params.py:  code for testing parameters that are coupled  

This is intended for the "tests" folder.  

Oak Ridge National Laboratory, 2020

"""

import sys

import sas_temper.sa_config as sa_config

import sas_temper.parse_conf as parse_conf

import sas_temper.modelconfig as modelconfig

import sas_temper.param as param

import sas_temper.polydispersity as polydispersity

import sas_temper.sas_temper_engine as engine

def main():

	if len(sys.argv) < 2:

		raise Exception("No configuration file specified")

	# this now works like the main function in __main__.py

	sasTemperConf, modelConf = parse_conf.parse_config(sys.argv[1])

	print("the input data file is " + str(sasTemperConf.datafile))

	print("    to be fit over q = " + str(sasTemperConf.qmin) + " to " + str(sasTemperConf.qmax))

	print("the output filename base is " + str(sasTemperConf.output))

	print("")

	print("The parameters for the simulated annealing:")

	print("     temperatures: " + str(sasTemperConf.temperatures))

	print("     temperature_rate: " + str(sasTemperConf.temp_rate))

	print("     parameter_rate: " + str(sasTemperConf.param_rate))

	print("     iterations: " + str(sasTemperConf.iterations))

	print("     models to generate: " + str(sasTemperConf.models))

	print("")

	print("The model that will be used for the data:")

	print("     name:  " + str(modelConf.name))

	print("     category:  " + str(modelConf.category))

	for i,p in enumerate(modelConf.params):

		print("\t\tparameters name:  " + str(p.name) + " kind: " + str(p.kind))

		if p.kind in ["fixed"]:

			print("\t\t\t value:  " + str(p.min))

		else :

			(print "\t\t\t range:  " + str(p.min) + " to " + str(p.max))

		if p.coupled is not None :

			print("\t\t\t coupled to " + str(p.coupled))

	if modelConf.sq is not None:

		print("\tstructure factor:  " + modelConf.sq.type)

		for i,sqp in enumerate(modelConf.sq.params):

			print("\t\tparameters name:  " + str(sqp.name) + " kind: " + str(sqp.kind))

			if sqp.kind in ["fixed"]:

				print("\t\t\t value:  " + str(sqp.min))

			else :

				print("\t\t\t range:  " + str(sqp.min) + " to " + str(sqp.max))

			if sqp.coupled is not None :

				print("\t\t\t coupled to " + str(sqp.coupled))

    # create a couple instances of the model configuration class to hold things

    f = modelconfig.ModelConfig(modelConf.name,modelConf.category,modelConf.params,modelConf.sq)

    conv_conf = modelconfig.ModelConfig(modelConf.name,modelConf.category,modelConf.params,modelConf.sq)

    # then call the function that will create a single random model

    f = engine.define_model(1,modconf,10.0,1.0,cur)

    # convert it to a configuration that is used for calculating an actual model profile

    conv_conf = modelconfig.convert_conf(f)

    # print out the results

    for i,p in enumerate(modelConf.params):

		print("\t\tparameters name:  " + str(p.name) + " value: " + str(p.val))

	if modelConf.sq is not None:

		print("\tstructure factor:  " + modelConf.sq.type)

		for i,sqp in enumerate(modelConf.sq.params):

			print("\t\tparameters name:  " + str(sqp.name) + " value: " + str(sqp.val))

if __name__=="__main__":

	main()