def dev__filter_by_cost_function():
print(80*'-')
print('{:^80}'.format('filter_by_cost_functio'))
testing_set = get_testing_set()
config_fn = testing_set['config_fn']
results_data_fn = testing_set['results_fn']
assert os.path.isfile(config_fn)
assert os.path.isfile(results_data_fn)
o = PyposmatDataAnalyzer(config_fn=config_fn,results_data_fn=results_data_fn)
weights = o.get_weights_by_z_error_normalization()
pct_to_keep = 0.95
is_survive_idx,filter_info = o.filter_by_cost_function(
loss_function_type='abs_error',
cost_function_type='weighted_sum',
weights=weights,
pct_to_keep=pct_to_keep
)
print('type(is_survive_idx):{}'.format(type(is_survive_idx)))
print('type(cost_function_info:{}'.format(type(filter_info)))
assert isinstance(is_survive_idx,set)
assert isinstance(filter_info,OrderedDict)
print('<---- START: str__filter_by_cost_function_filter_info')
print(o.str__filter_by_cost_function_filter_info(filter_info=filter_info))
print('<---- END: str__filter_by_cost_function_filter_info')
def dev__filter_by_qoi_constraints():
print(80*'-')
print('{:^80}'.format('filter_by_qoi_constraints'))
testing_set = get_testing_set()
config_fn = testing_set['config_fn']
results_data_fn = testing_set['results_fn']
assert os.path.isfile(config_fn)
assert os.path.isfile(results_data_fn)
o = PyposmatDataAnalyzer(config_fn=config_fn,results_data_fn=results_data_fn)
#for k,v in o.qoi_constraints.items():
# print(k,v)
#for k,v in o.configuration.qoi_constraints.items():
# print(k,v)
if 'qoi_constraints' not in o.configuration.qoi_constraints:
m = "cannot test for qoi_constraints because it is not defined in the configuration file"
print(m)
return
else:
is_survive_idx,qoi_constraint_info = o.filter_by_qoi_constraints()
print('type(is_survive_idx):{}'.format(type(is_survive_idx)))
assert isinstance(is_survive_idx,set)
print('type(qoi_constraint_info:{}'.format(type(qoi_constraint_info)))
assert isinstance(qoi_constraint_info,OrderedDict)
print(o.str__qoi_constraint_info(qoi_constraint_info=qoi_constraint_info))
def dev__get_descriptive_statistics__from_kde_file():
print(80 * '-')
print(
'{:^80}'.format('method -> get_descriptive_statistics__from_kde_file'))
testing_set = get_testing_set()
config_fn = testing_set['config_fn']
results_data_fn = testing_set['results_fn']
kde_data_fn = testing_set['kde_fn']
assert os.path.isfile(config_fn)
assert os.path.isfile(results_data_fn)
assert os.path.isfile(kde_data_fn)
o = PyposmatDataAnalyzer(config_fn=config_fn,
results_data_fn=results_data_fn)
kde_data = PyposmatDataFile()
kde_data.read(filename=kde_data_fn)
descriptive_statistics = o.get_descriptive_statistics(df=kde_data.df)
print(
o.str__descriptive_statistics(
descriptive_statistics=descriptive_statistics))
print(kde_data.df.shape)
def test__calculate_pareto_set(self,df=None,fn_out=None,sz=500):
rscs=testing_resources()
fn_data=rscs['fn_data']
pda=PyposmatDataAnalyzer()
pda.read_data_file(filename=fn_data)
assert type(pda.datafile) is PyposmatDataFile
def test__read_data_file__validpath():
rscs=testing_resources()
fn_data=rscs['fn_data']
pda=PyposmatDataAnalyzer()
pda.read_data_file(filename=fn_data)
assert type(pda.datafile) is PyposmatDataFile
def test__read_configuration_file__validpath():
rscs=testing_resources()
fn_config=rscs['fn_config']
pda=PyposmatDataAnalyzer()
pda.read_configuration_file(filename=fn_config)
assert type(pda.configuration) is PyposmatConfigurationfile
def test__filter_by_qoi_constraints():
testing_set = get_testing_set()
config_fn = testing_set['config_fn']
results_data_fn = testing_set['results_fn']
assert os.path.isfile(config_fn)
assert os.path.isfile(results_data_fn)
o = PyposmatDataAnalyzer(config_fn=config_fn,results_data_fn=results_data_fn)
is_survive_idx,qoi_constraint_info = o.filter_by_qoi_constraints()
assert isinstance(is_survive_idx,set)
assert isinstance(qoi_constraint_info,OrderedDict)
def test__filter_by_pareto_set_membership():
testing_set = get_testing_set()
config_fn = testing_set['config_fn']
results_data_fn = testing_set['results_fn']
assert os.path.isfile(config_fn)
assert os.path.isfile(results_data_fn)
o = PyposmatDataAnalyzer(config_fn=config_fn,results_data_fn=results_data_fn)
is_survive_idx,pareto_set_info = o.filter_by_pareto_membership()
assert all([isinstance(v,int) for v in is_survive_idx])
assert isinstance(is_survive_idx,set)
assert isinstance(pareto_set_info,OrderedDict)
def dev__analyze_results():
print(80*'-')
print('{:^80}'.format('method -> analyze_results'))
testing_set = get_testing_set()
i_iteration = testing_set['i_iteration']
config_fn = testing_set['config_fn']
results_data_fn = testing_set['results_fn']
assert os.path.isfile(config_fn)
assert os.path.isfile(results_data_fn)
o = PyposmatDataAnalyzer(config_fn=config_fn,results_data_fn=results_data_fn)
o.analyze_results(i_iteration=i_iteration)
def test__analyze_results():
testing_set = get_testing_set()
i_iteration = testing_set['i_iteration']
config_fn = testing_set['config_fn']
results_data_fn = testing_set['results_fn']
assert os.path.isfile(config_fn)
assert os.path.isfile(results_data_fn)
o = PyposmatDataAnalyzer(config_fn=config_fn,results_data_fn=results_data_fn)
is_survive_idx,filter_info = o.analyze_results(i_iteration=i_iteration)
assert isinstance(is_survive_idx,set)
assert isinstance(filter_info,OrderedDict)
def dev__analyze_results():
print(80*'-')
print('{:^80}'.format('method -> analyze_results'))
testing_set = get_testing_set()
i_iteration = testing_set['i_iteration']
config_fn = testing_set['config_fn']
results_data_fn = testing_set['results_fn']
assert os.path.isfile(config_fn)
assert os.path.isfile(results_data_fn)
o = PyposmatDataAnalyzer(config_fn=config_fn,results_data_fn=results_data_fn)
is_survive_idx,filter_info = o.analyze_results(i_iteration=i_iteration)
print('type(is_survive_idx):{}'.format(str(type(is_survive_idx))))
print('type(filter_info):{}'.format(str(type(filter_info))))
def dev__get_descriptive_statistics():
testing_set = get_testing_set()
config_fn = testing_set['config_fn']
results_data_fn = testing_set['results_fn']
assert os.path.isfile(config_fn)
assert os.path.isfile(results_data_fn)
o = PyposmatDataAnalyzer(config_fn=config_fn,results_data_fn=results_data_fn)
descriptive_statistics = o.get_descriptive_statistics()
assert isinstance(descriptive_statistics,OrderedDict)
assert 'qois' in descriptive_statistics
for qn in o.qoi_names:
assert qn in descriptive_statistics['qois']
print(o.str__descriptive_statistics(descriptive_statistics=descriptive_statistics))
def dev_get_weights_by_qoi_target_normalization():
testing_set = get_testing_set()
config_fn = testing_set['config_fn']
results_data_fn = testing_set['results_fn']
assert os.path.isfile(config_fn)
assert os.path.isfile(results_data_fn)
o = PyposmatDataAnalyzer(config_fn=config_fn,results_data_fn=results_data_fn)
weights = o.get_weights_by_qoi_target_normalization()
assert isinstance(weights,OrderedDict)
for k,v in weights.items():
assert k in o.qoi_names
assert isinstance(v,float)
print(o.str__cost_function_weights(weights=weights))
def test__write_kde_file():
o = PyposmatDataAnalyzer()
o.read_configuration(filename=pyposmat_config_fn)
o.read_data(filename=pyposmat_data_fn)
o.write_kde_file(filename=pyposmat_kde_fn)
assert os.path.isfile(pyposmat_kde_fn)
# cleanup
os.remove(pyposmat_kde_fn)
def get_best_parameterization(config_fn,data_fn,metric_name='d_metric',o_config=None,o_data=None):
_analyzer = PyposmatDataAnalyzer()
_analyzer.read_configuration_file(filename=config_fn)
_analyzer.read_data_file(filename=data_fn)
# calculate the scoring metric
if metric_name is 'd_metric':
_df = _analyzer.calculate_d_metric(df=_analyzer.datafile.df)
else:
s = "The metric name {} is unsupported"
s = s.format(metric_name)
raise PyposmatUnsupportedPotentialScoringMetric(s)
_data = PyposmatDataFile()
_data.read(filename=data_fn)
_data.df = _df
_data.subselect_by_score(score_name='d_metric',n=1)
_free_parameter_names = _analyzer.configuration.free_parameter_names
_parameter_best_dict = OrderedDict()
for pn in _free_parameter_names:
_parameter_best_dict[pn] = _data.sub_parameter_df.iloc[0][pn]
return _parameter_best_dict
def test__property__n_potentials_start():
testing_set = get_testing_set()
config_fn = testing_set['config_fn']
results_data_fn = testing_set['results_fn']
o = PyposmatDataAnalyzer(config_fn=config_fn,
results_data_fn=results_data_fn)
assert isinstance(o.n_potentials_start, int)
def dev__filter_by_pareto_set_membership():
print(80*'-')
print('{:^80}'.format('filter_by_pareto_membership'))
testing_set = get_testing_set()
config_fn = testing_set['config_fn']
results_data_fn = testing_set['results_fn']
assert os.path.isfile(config_fn)
assert os.path.isfile(results_data_fn)
o = PyposmatDataAnalyzer(config_fn=config_fn,results_data_fn=results_data_fn)
is_survive_idx,pareto_set_info = o.filter_by_pareto_membership()
print(is_survive_idx)
assert all([isinstance(v,int) for v in is_survive_idx])
assert isinstance(is_survive_idx,set)
assert isinstance(pareto_set_info,OrderedDict)
print('type(is_survive_idx):{}'.format(type(is_survive_idx)))
print('type(pareto_set_info):{}'.format(type(pareto_set_info)))
def __load_results_files(self,src_dir):
PYPOSPACK_RESULTS_FN_FMT="pyposmat.results.{}.out"
for i in range(self.n_iterations):
fn=os.path.join(src_dir,PYPOSPACK_RESULTS_FN_FMT.format(i))
print('reading {}...'.format(fn))
self.iteration[i]['results']=PyposmatDataAnalyzer()
self.iteration[i]['results'].read_configuration_file(filename=self.fn_config)
try:
self.iteration[i]['results'].read_data_file(filename=fn)
except FileNotFoundError as e:
self.iteration[i]['results'] = None
def dev__property__n_potentials_start():
print(80 * '-')
print('{:^80}'.format('property -> n_potentials_start'))
testing_set = get_testing_set()
config_fn = testing_set['config_fn']
results_data_fn = testing_set['results_fn']
o = PyposmatDataAnalyzer(config_fn=config_fn,
results_data_fn=results_data_fn)
print("type(o.n_potentials_start)):{}".format(type(o.n_potentials_start)))
print("o.n_potentials_start:{}".format(o.n_potentials_start))
def dev__write_kde_file():
kde_data_fn = 'pyposmat.kde.test.out'
try:
os.remove(kde_data_fn)
except FileNotFoundError as e:
pass
testing_set = get_testing_set()
o = PyposmatDataAnalyzer()
o.initialize_configuration(config_fn=testing_set['config_fn'])
o.initialize_results_data(results_data_fn=testing_set['results_data_fn'])
is_survive_idx, filter_info = o.analyze_results(
i_iteration=testing_set['i_iteration'])
o.write_kde_file(filename=kde_data_fn)
print(o.kde_data.df['sim_id'])
def analyze_results(self, i_iteration):
data_fn = os.path.join(\
self.root_directory,
self.data_directory,
'pyposmat.results.{}.out'.format(i_iteration))
config_fn = os.path.join(\
self.root_directory,
self.configuration_filename)
kde_fn = os.path.join(\
self.root_directory,
self.data_directory,
'pyposmat.kde.{}.out'.format(i_iteration+1))
data_analyzer = PyposmatDataAnalyzer()
data_analyzer.read_configuration_file(filename=config_fn)
data_analyzer.read_data_file(filename=data_fn)
data_analyzer.write_kde_file(filename=kde_fn)
def test____init____path_arguments():
rscs=testing_resources()
fn_config=rscs['fn_config']
fn_data=rscs['fn_data']
pda=PyposmatDataAnalyzer(
fn_config=fn_config,
fn_data=fn_data)
assert type(pda) is PyposmatDataAnalyzer
assert type(pda.configuration) is PyposmatConfigurationFile
assert type(pda.datafile) is PyposmatDataFile
assert type(pda.df) is pd.DataFrame
assert type(pda.parameter_names) is list
assert type(pda.error_names) is list
assert type(pda.qoi_names) is list
assert type(pda.names) is list
def get_parameter_variance(
config_fn,data_fn,
metric_name='d_metric',
n=100,
o_config=None,
o_data=None):
"""
Args:
config_fn (str):
data_fn (str):
metric_name (str): (default:d_metric)
n (int): the number of best metric values
o_config (pypospack.config.data.PyposmatConfigurationFile)
o_data (pypospack.config.data.PyposmatDataFile)
Returns:
collections.OrderedDict
Raises:
PyposmatUnknownPotentialScoringMetric
"""
_analyzer = PyposmatDataAnalyzer()
_analyzer.read_configuration_file(filename=config_fn)
_analyzer.read_data_file(filename=data_fn)
# calculate the scoring metric
if metric_name is 'd_metric':
_df = _analyzer.calculate_d_metric(df=_analyzer.datafile.df)
else:
s = "The metric name {} is unsupported"
s = s.format(metric_name)
raise PyposmatUnsupportedPotentialScoringMetric(s)
_data = PyposmatDataFile()
_data.read(filename=data_fn)
_data.df = _df
_data.subselect_by_score(score_name='d_metric',n=n)
_param_std_df = _data.sub_parameter_df.std(axis=0)
_parameter_std_dict = OrderedDict()
for pn in _analyzer.parameter_names:
_parameter_std_dict[pn] =_param_std_df.to_dict()[pn]
return _parameter_std_dict
import numpy as np
from pypospack.pyposmat.data import PyposmatDataFile, PyposmatDataAnalyzer
if __name__ == "__main__":
import os
import pypospack.utils
_pypospack_root = pypospack.utils.get_pypospack_root_directory()
_data_in_directory = os.path.join(
_pypospack_root, 'examples',
'Ni__eam__born_exp_fs__sensitivityanalysis',
'data__from_pareto_optimization')
_pyposmat_data_fn = os.path.join(_data_in_directory, 'pyposmat.kde.6.out')
_pyposmat_config_fn = os.path.join(_data_in_directory,
'pyposmat.config.in')
analyzer = PyposmatDataAnalyzer()
analyzer.read_configuration_file(filename=_pyposmat_config_fn)
analyzer.read_data_file(filename=_pyposmat_data_fn)
df = analyzer.calculate_d_metric(df=analyzer.datafile.df)
data = PyposmatDataFile()
data.read(filename=_pyposmat_data_fn)
data.df = df
data.subselect_by_score(score_name="d_metric", n=100)
# print(data.sub_df)
param_stdev_df = data.sub_parameter_df.std(axis=0)
param_mean_df = data.sub_parameter_df.mean(axis=0)
print("parameter standard deviations:\n{}".format(param_stdev_df))
print("parameter means:\n{}".format(param_mean_df))
def test__read_data():
o = PyposmatDataAnalyzer()
o.read_data(filename=pyposmat_data_fn)
assert type(o.data) is PyposmatDataFile
configuration.qoi_constraints = config.qoi_constraints
configuration.structures = config.structure_db
configuration.potential = config.potential_formalism
configuration.sampling_type = config.sampling
configuration.sampling_distribution = config.parameter_distribution
configuration.sampling_constraints = config.parameter_constraints
#<------------- write configuration file
configuration.write(filename=_configuration_filename)
#--------------------------------------------------------------------------
# TEST CONFIGURATION FILE
#--------------------------------------------------------------------------
configuration.read(filename=_configuration_filename)
#--------------------------------------------------------------------------
# ANALYZE DATA
#--------------------------------------------------------------------------
data_directory = 'data'
pyposmat_data_filename = 'pyposmat.results.9.out'
pyposmat_configuration_filename = 'pyposmat.config.in'
data_analyzer = PyposmatDataAnalyzer()
data_analyzer.read_configuration_file(
filename=pyposmat_configuration_filename)
data_analyzer.read_data_file(
filename=os.path.join(data_directory, pyposmat_data_filename))
#data_analyzer.filter_performance_requirements()
#data_analyzer.calculate_pareto_set()
data_analyzer.write_kde_file(filename='pyposmat.kde.out')
exit()
import yaml
import pypospack.utils
from pypospack.io.filesystem import OrderedDictYAMLLoader
from pypospack.pyposmat.data import PyposmatConfigurationFile
from pypospack.pyposmat.data import PyposmatDataFile
from pypospack.pyposmat.data import PyposmatDataAnalyzer
data_directory = os.path.join(pypospack.utils.get_pypospack_root_directory(),
'data', 'Si__sw__data', 'pareto_optimization_1')
config_fn = os.path.join(data_directory, 'pyposmat.config.in')
analysis_fn = 'pyposmat.analysis.out'
assert os.path.isdir(data_directory)
assert os.path.isfile(config_fn)
o = PyposmatDataAnalyzer()
o.initialize_configuration(config_fn=config_fn)
n_iterations = o.configuration.n_iterations
print("n_iterations:{}".format(n_iterations))
# read analysis results to file system
if os.path.isfile(analysis_fn):
with open(analysis_fn, 'r') as f:
analysis_results = yaml.load(f, OrderedDictYAMLLoader)
else:
analysis_results = OrderedDict()
for i in range(n_iterations):
if i not in analysis_results:
print('i_iteration:{}'.format(i))
def analyze_results(self,
i_iteration,
data_fn=None,
config_fn=None,
kde_fn=None,
analysis_fn=None):
""" analyze the results of the simulation
this method analyzes the results of the simulation, and does post simulation
tasks, such as filtering by qoi performance, pareto optimization, etc.
Args:
data_fn(str): the path of the data file. By default this is set to none
where the the file will be determine by i_iteration and internal
attributes
config_fn(str): the path of the data file. By default this is set to none
where the the file will be determine by i_iteration and internal
attributes
kde_fn(str): the path of the data file. By default this is set to none
where the the file will be determine by i_iteration and internal
attributes
"""
if data_fn is None:
data_fn = os.path.join(\
self.root_directory,
self.data_directory,
'pyposmat.results.{}.out'.format(i_iteration))
if config_fn is None:
config_fn = os.path.join(\
self.root_directory,
self.configuration_filename)
if kde_fn is None:
kde_fn = os.path.join(\
self.root_directory,
self.data_directory,
'pyposmat.kde.{}.out'.format(i_iteration+1))
if analysis_fn is None:
analysis_fn = os.path.join(self.root_directory,
self.data_directory,
'pyposmat.analysis.out')
data_analyzer = PyposmatDataAnalyzer()
data_analyzer.initialize_configuration(config_fn=config_fn)
data_analyzer.analyze_results_data(i_iteration, filename=data_fn)
assert isinstance(data_analyzer.results_statistics, OrderedDict)
if os.path.isfile(analysis_fn):
data_analyzer.read_analysis_file(filename=analysis_fn)
self.log(
data_analyzer.str__results_descriptive_statistics(
statistics=data_analyzer.results_statistics))
self.log(data_analyzer.str__qoi_filtering_summary())
data_analyzer.write_kde_file(filename=kde_fn)
data_analyzer.analyze_kde_data(i_iteration, filename=kde_fn)
assert isinstance(data_analyzer.kde_statistics, OrderedDict)
self.log(
data_analyzer.str__kde_descriptive_statistics(
statistics=data_analyzer.kde_statistics))
data_analyzer.update_analysis(i_iteration)
data_analyzer.write_analysis_file(filename=analysis_fn)
import os, copy, argparse
from pypospack.pyposmat.data import PyposmatDataAnalyzer
if __name__ == "__main__":
_fn_config = os.path.join("data__Ni__eam__born_exp_bjs_05",
"pyposmat.config.in")
_fn_data = os.path.join("data__Ni__eam__born_exp_bjs_04",
"pyposmat.kde.9.out")
_fn_kde_out = os.path.join("data__Ni__eam__born_exp_bjs_05",
"pyposmat.kde.00.out")
pda = PyposmatDataAnalyzer(fn_config=_fn_config, fn_data=_fn_data)
pda.write_kde_file(filename=_fn_kde_out)
import os, copy, argparse
from collections import OrderedDict
from pypospack.pyposmat.data import PyposmatDataFile
from pypospack.pyposmat.data import PyposmatConfigurationFile
from pypospack.pyposmat.data import PyposmatDataAnalyzer
if __name__ == "__main__":
_fn_config = os.path.join("resources", "pyposmat.config.in")
_fn_data = os.path.join("resources", "pyposmat.results.0.out")
_fn_pareto_out = os.path.join("pyposmat.pareto.out")
pda = PyposmatDataAnalyzer(fn_config=_fn_config, fn_data=_fn_data)
pareto_df = pda.calculate_pareto_set()
datafile = PyposmatDataFile()
datafile.df = pareto_df
datafile.parameter_names = pda.parameter_names
datafile.qoi_names = pda.qoi_names
datafile.error_names = pda.error_names
datafile.names = ['sim_id'] \
+datafile.parameter_names\
+datafile.qoi_names\
+datafile.error_names
datafile.types = ['sim_id']\
+len(datafile.parameter_names)*['param']\
+len(datafile.qoi_names)*['qoi_names']\
+len(datafile.error_names)*['error_names']
datafile.write(_fn_pareto_out)
datafile.read(_fn_pareto_out)
