<gh_stars>100-1000
# -*- coding: utf-8 -*-
'''Chemical Engineering Design Library (ChEDL). Utilities for process modeling.
Copyright (C) 2019, <NAME> <<EMAIL>>

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.'''

import pytest

from thermo import *
from fluids.numerics import *
from math import *
import json
import os

from thermo.test_utils import *

pure_cases = []

pure_case_compounds = ['water', 'methane', 'ethane', 'ammonia', 'nitrogen', 'oxygen']
pure_case_packages = [SRK_PKG, PR_PKG]
functions = ['TVF', 'PVF', 'TP', 'PH', 'PS']
#functions = ['PH', 'PS']

for pkg in pure_case_packages:
    for compound in pure_case_compounds:
        case = {'IDs': [compound], 'pkg_ID': pkg, 'zs': [1.0], 'types': functions}
        pure_cases.append(case)

pure_cases_custom = []
pure_cases.extend(pure_cases_custom)

#pure_cases = [{'IDs': ['water'], 'pkg_ID': PR_PKG, 'zs': [1.0]}]
pure_path = os.path.join(os.path.dirname(__file__), '../surfaces/Tabular data pure')
mix_path = os.path.join(os.path.dirname(__file__), '../surfaces/Tabular data mix')


mix_cases = [
        {'IDs': ['methane', 'CO2'], 'pkg_ID': PR_PKG, 'zs': [.5, .5], 'types': ['TP']},
        {'IDs': ['methane', 'CO2'], 'pkg_ID': SRK_PKG, 'zs': [.5, .5], 'types': ['TP']},
#        {'IDs': ['water', 'oxygen', 'nitrogen'], 'pkg_ID': PR_PKG, 'zs': [.01, .79, .2], 'types': ['TP']} # TP flash is failing
        ]

def export_case(cases, path, verbose=False):
    for case in cases:
        for func_str in case['types']:
            tabular_data_function = tabular_data_functions[func_str]
            kwargs = dict(case)
            del kwargs['types']
            specs0, specs1, data, metadata = tabular_data_function(**kwargs)
            case_name = '%s %s %s %s' %(case['IDs'], case['zs'], case['pkg_ID'], func_str)
            file_name = os.path.join(path, case_name)
            if 'attrs' in cases:
                attrs = cases['attrs']
            else:
                attrs = default_attrs
            save_tabular_data_as_json(specs0, specs1, metadata, data, attrs, file_name)
            if verbose:
                print('Finished %s' %(case_name))



def export_all_pure_cases(verbose=False):
    export_case(pure_cases, pure_path, verbose)


def export_all_mix_cases(verbose=False):
    export_case(mix_cases, mix_path, verbose)



if __name__ == '__main__':
#    export_all_pure_cases(verbose=True)
    export_all_mix_cases(verbose=True)

# -*- coding: utf-8 -*-
'''Chemical Engineering Design Library (ChEDL). Utilities for process modeling.
Copyright (C) 2019, <NAME> <<EMAIL>>

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.'''

import pytest

from thermo import *
from fluids.numerics import *
from math import *
import json
import os

from thermo.test_utils import *

pure_cases = []

pure_case_compounds = ['water', 'methane', 'ethane', 'ammonia', 'nitrogen', 'oxygen']
pure_case_packages = [SRK_PKG, PR_PKG]
functions = ['TVF', 'PVF', 'TP', 'PH', 'PS']
#functions = ['PH', 'PS']

for pkg in pure_case_packages:
    for compound in pure_case_compounds:
        case = {'IDs': [compound], 'pkg_ID': pkg, 'zs': [1.0], 'types': functions}
        pure_cases.append(case)

pure_cases_custom = []
pure_cases.extend(pure_cases_custom)

#pure_cases = [{'IDs': ['water'], 'pkg_ID': PR_PKG, 'zs': [1.0]}]
pure_path = os.path.join(os.path.dirname(__file__), '../surfaces/Tabular data pure')
mix_path = os.path.join(os.path.dirname(__file__), '../surfaces/Tabular data mix')


mix_cases = [
        {'IDs': ['methane', 'CO2'], 'pkg_ID': PR_PKG, 'zs': [.5, .5], 'types': ['TP']},
        {'IDs': ['methane', 'CO2'], 'pkg_ID': SRK_PKG, 'zs': [.5, .5], 'types': ['TP']},
#        {'IDs': ['water', 'oxygen', 'nitrogen'], 'pkg_ID': PR_PKG, 'zs': [.01, .79, .2], 'types': ['TP']} # TP flash is failing
        ]

def export_case(cases, path, verbose=False):
    for case in cases:
        for func_str in case['types']:
            tabular_data_function = tabular_data_functions[func_str]
            kwargs = dict(case)
            del kwargs['types']
            specs0, specs1, data, metadata = tabular_data_function(**kwargs)
            case_name = '%s %s %s %s' %(case['IDs'], case['zs'], case['pkg_ID'], func_str)
            file_name = os.path.join(path, case_name)
            if 'attrs' in cases:
                attrs = cases['attrs']
            else:
                attrs = default_attrs
            save_tabular_data_as_json(specs0, specs1, metadata, data, attrs, file_name)
            if verbose:
                print('Finished %s' %(case_name))



def export_all_pure_cases(verbose=False):
    export_case(pure_cases, pure_path, verbose)


def export_all_mix_cases(verbose=False):
    export_case(mix_cases, mix_path, verbose)



if __name__ == '__main__':
#    export_all_pure_cases(verbose=True)
    export_all_mix_cases(verbose=True)
# -*- coding: utf-8 -*- Chemical Engineering Design Library (ChEDL). Utilities for process modeling. Copyright (C) 2019, <NAME> <<EMAIL>>  Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:  The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.  THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. #functions = ['PH', 'PS'] #pure_cases = [{'IDs': ['water'], 'pkg_ID': PR_PKG, 'zs': [1.0]}] #        {'IDs': ['water', 'oxygen', 'nitrogen'], 'pkg_ID': PR_PKG, 'zs': [.01, .79, .2], 'types': ['TP']} # TP flash is failing #    export_all_pure_cases(verbose=True)