PyThermoLinkDB 1.0.0__py3-none-any.whl

PyThermoLinkDB-1.0.0.dist-info/LICENSE

@@ -0,0 +1,201 @@
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PyThermoLinkDB-1.0.0.dist-info/METADATA

@@ -0,0 +1,288 @@
+Metadata-Version: 2.1
+Name: PyThermoLinkDB
+Version: 1.0.0
+Summary: PyThermoLinkDB is a Python package providing a robust and efficient interface between `PyThermoDB` and other applications.
+Author: Sina Gilassi
+Author-email: <sina.gilassi@gmail.com>
+License: MIT
+Keywords: python,chemical engineering,thermodynamics,PyThermoDB
+Classifier: Development Status :: 1 - Planning
+Classifier: Intended Audience :: Education
+Classifier: Programming Language :: Python :: 3.9
+Classifier: Operating System :: Unix
+Classifier: Operating System :: MacOS :: MacOS X
+Classifier: Operating System :: Microsoft :: Windows
+Requires-Python: >=3.6
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: pandas
+Requires-Dist: pillow
+Requires-Dist: requests
+Requires-Dist: urllib3
+Requires-Dist: matplotlib
+Requires-Dist: numpy
+Requires-Dist: PyYAML
+Requires-Dist: PyThermoDB
+
+
+# PyThermoLinkDB
+
+
+
+![Downloads](https://img.shields.io/pypi/dm/PyThermoLinkDB) ![PyPI](https://img.shields.io/pypi/v/PyThermoLinkDB) ![Python Version](https://img.shields.io/pypi/pyversions/PyThermoLinkDB.svg) ![License](https://img.shields.io/pypi/l/PyThermoLinkDB)
+
+
+
+PyThermoLinkDB is a Python package providing a robust and efficient interface between `PyThermoDB` and other applications. It enables seamless thermodynamic data exchange, integration, and analysis. With PyThermoLinkDB, developers can easily link PyThermoDB to various tools, frameworks, and databases, streamlining thermodynamic workflows.
+
+
+
+**Key Features:**
+
+
+
+-   Simple and intuitive API
+
+-   Efficient data transfer and integration
+
+-   Compatible with multiple data formats
+
+-   Extensive documentation and examples
+
+
+
+Ideal for researchers, engineers, and developers working with thermodynamic data, PyThermoLinkDB simplifies data integration and analysis, accelerating scientific discoveries and industrial applications.
+
+
+
+## Installation
+
+
+
+Install pyThermoLinkDB with pip
+
+
+
+```python
+
+import pyThermoLinkDB as ptdblink
+
+# check version
+
+print(ptdblink.__version__)
+
+```
+
+
+
+## Usage Example
+
+
+
+```python
+
+# import packages/modules
+
+import pyThermoLinkDB as ptdblink
+
+import pyThermoDB as ptdb
+
+import os
+
+from pprint import pprint as pp
+
+```
+
+
+
+### LOAD THERMODB
+
+
+
+```python
+
+# ! ethanol
+
+# thermodb file name
+
+EtOH_thermodb_file = os.path.join(os.getcwd(), 'test', 'ethanol.pkl')
+
+# load
+
+EtOH_thermodb = ptdb.load_thermodb(EtOH_thermodb_file)
+
+print(type(EtOH_thermodb))
+
+
+
+# check
+
+pp(EtOH_thermodb.check())
+
+# check properties
+
+pp(EtOH_thermodb.check_properties())
+
+# datastrcuture
+
+pp(EtOH_thermodb.check_property('GENERAL').data_structure())
+
+
+
+# ! methanol
+
+# thermodb file name
+
+MeOH_thermodb_file = os.path.join(os.getcwd(), 'test', 'methanol.pkl')
+
+# load
+
+MeOH_thermodb = ptdb.load_thermodb(MeOH_thermodb_file)
+
+print(type(MeOH_thermodb))
+
+
+
+# check
+
+pp(MeOH_thermodb.check())
+
+
+
+# ! CO2
+
+CO2_thermodb_file = os.path.join(
+
+    os.getcwd(), 'test', 'Carbon Dioxide-multiple.pkl')
+
+# load
+
+CO2_thermodb = ptdb.load_thermodb(CO2_thermodb_file)
+
+print(type(CO2_thermodb))
+
+
+
+# check
+
+pp(CO2_thermodb.check())
+
+pp(CO2_thermodb.check_property('GENERAL').data_structure())
+
+pp(CO2_thermodb.check_property('GENERAL-2').data_structure())
+
+```
+
+
+
+### THERMODB LINK CONFIGURATION
+
+
+
+```python
+
+# init thermodb hub
+
+thub1 = ptdblink.thermodb_hub()
+
+print(type(thub1))
+
+
+
+# add component thermodb
+
+thub1.add_thermodb('EtOH', EtOH_thermodb)
+
+thub1.add_thermodb('MeOH', MeOH_thermodb)
+
+thub1.add_thermodb('CO2', CO2_thermodb)
+
+
+
+# * add thermodb rule
+
+thermodb_config_file = os.path.join(os.getcwd(), 'test', 'thermodb_config.yml')
+
+# one component
+
+# thub1.config_thermodb_rule(thermodb_config_file, name='EtOH')
+
+# all components
+
+thub1.config_thermodb_rule(thermodb_config_file, name='ALL')
+
+
+
+# thermodb
+
+# pp(thub1.thermodb)
+
+
+
+# thermodb rules
+
+# pp(thub1.thermodb_rule)
+
+
+
+# get components
+
+pp(thub1.get_components())
+
+
+
+# build
+
+datasource, equationsource = thub1.build()
+
+pp(datasource)
+
+pp(equationsource)
+
+
+
+# check
+
+# pp(thub1.check())
+
+```
+
+
+
+### RETRIEVE DATA
+
+
+
+```python
+
+# data
+
+pp(datasource['CO2']['Pc']['value'])
+
+
+
+# equation
+
+pp(equationsource['CO2']['VaPr'].args)
+
+pp(equationsource['CO2']['VaPr'].cal(T=298.15))
+
+```
+
+
+
+## FAQ
+
+
+
+For any question, contact me on [LinkedIn](https://www.linkedin.com/in/sina-gilassi/) 
+
+
+
+
+
+## Authors
+
+
+
+- [@sinagilassi](https://www.github.com/sinagilassi)

PyThermoLinkDB-1.0.0.dist-info/RECORD

@@ -0,0 +1,13 @@
+pyThermoLinkDB/__init__.py,sha256=SdtbE5zCi4rUVF4QRcX1YUV58YKg7WHnatDKfWvXvso,135
+pyThermoLinkDB/app.py,sha256=wWnnTY1G9pRLAG08usTNAkIIuE-BlxJ4RZzP7cgZqhE,880
+pyThermoLinkDB/config/__init__.py,sha256=yfehvVIN_AZsPyTc7gYNcAlx-SiP5rD_zNsDMUSYvg0,126
+pyThermoLinkDB/config/settings.py,sha256=nMYB0bi5DyhUqdpeMGOdrEsI3UIfiK2Htbved-1kwWM,225
+pyThermoLinkDB/data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
+pyThermoLinkDB/docs/__init__.py,sha256=OaUqCAHPrWd50mVEIFfkVrMZLY6WzQ7WZb4WIOUrb0E,117
+pyThermoLinkDB/docs/thermodbhub.py,sha256=4Qx9PzqNOwBPXPFmXy-9V6nJ3VxsAziEGppr7fXYcno,10906
+pyThermoLinkDB/docs/thermolink.py,sha256=QS-XDfBqwV31RIw2K9zQ8g7T8VPG5BWBuhUrkT50Rso,4468
+PyThermoLinkDB-1.0.0.dist-info/LICENSE,sha256=HrhfyXIkWY2tGFK11kg7vPCqhgh5DcxleloqdhrpyMY,11558
+PyThermoLinkDB-1.0.0.dist-info/METADATA,sha256=3KzQaaEOemcUEiL6DihuzjqMjZ92UI-6g-_LwDA6s6M,4662
+PyThermoLinkDB-1.0.0.dist-info/WHEEL,sha256=GV9aMThwP_4oNCtvEC2ec3qUYutgWeAzklro_0m4WJQ,91
+PyThermoLinkDB-1.0.0.dist-info/top_level.txt,sha256=1W-IWvJNett9H59MZFvL2wjvJOZKAhU_5LBlIk8rVso,15
+PyThermoLinkDB-1.0.0.dist-info/RECORD,,

PyThermoLinkDB-1.0.0.dist-info/WHEEL

@@ -0,0 +1,5 @@
+Wheel-Version: 1.0
+Generator: setuptools (75.1.0)
+Root-Is-Purelib: true
+Tag: py3-none-any
+

PyThermoLinkDB-1.0.0.dist-info/top_level.txt

@@ -0,0 +1 @@
+pyThermoLinkDB

pyThermoLinkDB/__init__.py

@@ -0,0 +1,3 @@
+from .app import __author__, __version__, __description__, thermodb_hub
+
+__all__ = ["__author__", "__version__", "__description__"]

pyThermoLinkDB/app.py

@@ -0,0 +1,51 @@
+# import packages/modules
+import os
+# local
+from .config import __version__, __author__, __description__
+from .docs import ThermoDBHub, ThermoLink
+
+
+def get_version() -> str:
+    '''
+    Get the current version
+    '''
+    return __version__
+
+
+def get_author() -> str:
+    '''
+    Get the author
+    '''
+    return __author__
+
+
+def des() -> str:
+    '''
+    Get the description
+    '''
+    return __description__
+
+
+def thermodb_hub() -> ThermoDBHub:
+    '''
+    Init thermolink
+
+    Parameters
+    ----------
+    None
+
+    Returns
+    -------
+    ThermoDBHub : ThermoDBHub
+        A thermolink object
+    '''
+    try:
+        # init thermolink
+        ThermoDBHubC = ThermoDBHub()
+        return ThermoDBHubC
+    except Exception as e:
+        raise Exception("Error: {}".format(e))
+
+
+if __name__ == "__main__":
+    print(des())

pyThermoLinkDB/config/__init__.py

@@ -0,0 +1,3 @@
+from .settings import __author__, __version__, __description__
+
+__all__ = ["__author__", "__version__", "__description__"]

pyThermoLinkDB/config/settings.py

@@ -0,0 +1,8 @@
+# setting
+
+# version
+__version__ = "1.0.0"
+# author
+__author__ = "Sina Gilassi"
+# description
+__description__ = "A Python interface for connecting PyThermoDB to other applications and integrating thermodynamic data."

pyThermoLinkDB/docs/__init__.py

@@ -0,0 +1,4 @@
+from .thermolink import ThermoLink
+from .thermodbhub import ThermoDBHub
+
+__all__ = ["ThermoLink", "ThermoDBHub"]

pyThermoLinkDB/docs/thermodbhub.py

@@ -0,0 +1,384 @@
+# THERMODB
+
+# import packages/modules
+import pyThermoDB
+import os
+import yaml
+# local
+from .thermolink import ThermoLink
+
+
+class ThermoDBHub(ThermoLink):
+    # vars
+    _thermodb = {}
+    _thermodb_rule = {}
+    _hub = {}
+
+    def __init__(self):
+        # init super class
+        ThermoLink().__init__()
+
+    @property
+    def thermodb(self):
+        return self._thermodb
+
+    @property
+    def thermodb_rule(self):
+        return self._thermodb_rule
+
+    @property
+    def hub(self):
+        return self._hub
+
+    def get_components(self):
+        '''
+        Gets a component list
+
+        Parameters
+        ----------
+        None
+
+        Returns
+        -------
+        components : list
+            list of components
+        '''
+        try:
+            components = list(self._thermodb.keys())
+            return components
+        except Exception as e:
+            raise Exception('Getting components failed!, ', e)
+
+    def config_thermodb_rule(self, config_file, name="ALL", disp=False) -> bool:
+        '''
+        Configs thermodb rule defined for each component
+
+        Parameters
+        ----------
+        config_file: str
+            config file path
+        name: str
+            name of the record, optional, default value is ALL.
+        disp: bool
+            display the config log
+
+        Returns
+        -------
+        True : bool
+            success
+
+        Notes
+        -----
+        config_file is a yml file format as:
+        ```
+        EtOH:
+            Pc: ['GENERAL','Pc']
+            Tc: ['GENERAL','Tc']
+            AcFa: ['GENERAL','AcFa']
+            VaPr: ['VAPOR-PRESSURE','VaPr']
+        MeOH:
+            Pc: ['GENERAL','Pc']
+            Tc: ['GENERAL','Tc']
+            AcFa: ['GENERAL','AcFa']
+            VaPr: ['VAPOR-PRESSURE','VaPr']
+        ```
+        '''
+        try:
+            # check
+            if config_file:
+                # check file
+                if not os.path.exists(config_file):
+                    raise Exception('Configuration file not found!')
+
+                # set name
+                name = str(name).strip()
+                # load
+                with open(config_file, 'r') as f:
+                    _ref = yaml.load(f, Loader=yaml.FullLoader)
+
+                    # check
+                    if name == "ALL":
+                        # check name exists
+                        if _ref.keys():
+                            # looping through
+                            for key in _ref.keys():
+                                # get record
+                                record_thermodb_rule = _ref[key]
+
+                                # check key exists
+                                if key in self._thermodb.keys():
+                                    # add
+                                    self._thermodb_rule[key].update(
+                                        record_thermodb_rule)
+
+                                    # check disp
+                                    if disp:
+                                        print(
+                                            f'{key} thermodb rule successfully registered.')
+                                else:
+                                    print(
+                                        f'{key} not found, no thermodb provided!')
+                            # res
+                            return True
+                        else:
+                            raise Exception('Record not found!')
+                    else:
+                        # check name exists
+                        if name in _ref.keys():
+                            # get record
+                            record_thermodb_rule = _ref[name]
+
+                            # check name exists
+                            if name in self._thermodb.keys():
+                                # looping through
+                                self._thermodb_rule[name].update(
+                                    record_thermodb_rule)
+
+                                # check disp
+                                if disp:
+                                    print(
+                                        f'{name} thermodb rule successfully registered.')
+                                # res
+                                return True
+                            else:
+                                print(
+                                    f'{name} not found, no thermodb provided!')
+                                # res
+                                return False
+                        else:
+                            print(f'{name} not found, no thermodb provided!')
+                            return False
+
+        except Exception as e:
+            raise Exception('Configuration failed!, ', e)
+
+    def add_thermodb_rule(self, rules):
+        '''
+        Adds a thermodb rule dict
+
+        Parameters
+        ----------
+        rules: dict
+            thermodb rule dict for all components
+
+        Returns
+        -------
+        True : bool
+            success
+
+        Notes
+        -----
+        - A dictionary file with the following format:
+
+        {
+            'CO2':
+                'Pc': ['GENERAL','Pc']
+                'Tc': ['GENERAL','Tc']
+                'AcFa': ['GENERAL','AcFa']
+                'VaPr': ['VAPOR-PRESSURE','VaPr'],
+        }
+        '''
+        try:
+            for key, value in rules.items():
+                # check key exist
+                if key not in self._thermodb.keys():
+                    # log warning
+                    print(f"{key} is not in thermodb!")
+                    continue
+
+                # add
+                self._thermodb_rule[key] = value
+                # res
+                return True
+            # res
+            return True
+        except Exception as e:
+            raise Exception('Adding new rule failed!, ', e)
+
+    def delete_thermodb_rule(self, name):
+        '''
+        Deletes the current thermodb rule
+
+        Parameters
+        ----------
+        name: str
+            name of the record
+
+        Returns
+        -------
+        True : bool
+            success
+        '''
+        try:
+            # check key exist
+            if name not in self._thermodb_rule.keys():
+                # log warning
+                print(f"{name} is not in thermodb_rule!")
+                return False
+
+            # del
+            del self._thermodb_rule[name]
+            # res
+            return True
+        except Exception as e:
+            raise Exception('Deleting rule failed!, ', e)
+
+    def add_thermodb(self, name, data: pyThermoDB.docs.compbuilder.CompBuilder) -> bool:
+        '''
+        Adds new thermodb such as: CO2_thermodb
+
+        Parameters
+        ----------
+        name: str
+            name of the record
+        data: pyThermoDB.docs.compbuilder.CompBuilder
+            data of the record
+
+        Returns
+        -------
+        True : bool
+            success
+        '''
+        try:
+            self._thermodb[name] = data
+            # create thermodb rule
+            self._thermodb_rule[name] = {}
+            # res
+            return True
+        except Exception as e:
+            raise Exception('Adding new record failed!, ', e)
+
+    def update_thermodb(self, name, data: pyThermoDB.docs.compbuilder.CompBuilder) -> bool:
+        '''
+        Updates existing record
+
+        Parameters
+        ----------
+        name: str
+            name of the record
+        data: pyThermoDB.docs.compbuilder.CompBuilder
+            data of the record
+
+        Returns
+        -------
+        True : bool
+            success
+        '''
+        try:
+            self._thermodb[name] = data
+            # res
+            return True
+        except Exception as e:
+            raise Exception('Updating record failed!, ', e)
+
+    def delete_thermodb(self, name: str) -> bool:
+        '''
+        Deletes existing record
+
+        Parameters
+        ----------
+        name: str
+            name of the record
+
+        Returns
+        -------
+        True : bool
+            success
+        '''
+        try:
+            del self._thermodb[name]
+            # delete thermodb rule
+            del self._thermodb_rule[name]
+            # res
+            return True
+        except Exception as e:
+            raise Exception('Deleting record failed!, ', e)
+
+    def info_thermodb(self, name) -> dict:
+        '''
+        Gets info of thermodb
+
+        Parameters
+        ----------
+        name: str
+            name of the record
+
+        Returns
+        -------
+        res : CompBuilder
+            thermodb check
+        '''
+        try:
+            # check key exist
+            if name not in self._thermodb.keys():
+                # log warning
+                print(f"{name} is not in thermodb!")
+                return None
+
+            # res
+            res = self._thermodb[name].check()
+            return res
+        except Exception as e:
+            raise Exception('Getting info of record failed!, ', e)
+
+    def build(self):
+        '''
+        Builds a datasource
+
+        Parameters
+        ----------
+        None
+
+        Returns
+        -------
+        datasource : dict
+            datasource
+        equationsource : dict
+            equationsource
+
+        Notes
+        -----
+        - A dictionary contains data and equations
+        '''
+        try:
+            # components
+            components = list(self._thermodb.keys())
+            # datasource
+            datasource = self._set_datasource(
+                self._thermodb, self._thermodb_rule, components)
+            # equationsource
+            equationsource = self._set_equationsource(
+                self._thermodb, self._thermodb_rule, components)
+
+            # reset
+            self._hub = {}
+            # update hub
+
+            # for each component
+            for component in components:
+                _data = datasource[component]
+                _eq = equationsource[component]
+                # save
+                self._hub[component] = {**_data, **_eq}
+            # res
+            return datasource, equationsource
+        except Exception as e:
+            raise Exception('Building data/equation source failed!, ', e)
+
+    def check(self):
+        '''
+        Checks data/equation source
+
+        Parameters
+        ----------
+        None
+
+        Returns
+        -------
+        thermodb : dict
+            thermodb
+        '''
+        try:
+            return self._hub
+        except Exception as e:
+            raise Exception('Checking data/equation source failed!, ', e)

pyThermoLinkDB/docs/thermolink.py

@@ -0,0 +1,128 @@
+# THERMO LINK
+
+# import packages/modules
+
+# local
+
+
+class ThermoLink:
+
+    def __init__(self):
+        # load reference
+        pass
+
+    def _set_datasource(self, thermodb: dict, thermodb_rule: dict, components: list) -> dict:
+        '''
+        Sets a datasource
+
+        Parameters
+        ----------
+        thermodb : dict
+            thermodb
+        thermodb_rule : dict
+            thermodb rule
+        components : list
+            list of components
+
+        Returns
+        -------
+        datasource : dict
+            datasource
+        '''
+        try:
+            # datasource
+            datasource = {}
+            for component in components:
+                if component in thermodb:
+                    # set
+                    datasource[component] = {}
+
+                    # component registered data/equations
+                    data = list(
+                        thermodb[component].check_properties().keys())
+
+                    # check
+                    if len(data) != 0:
+                        # looping through each data source (GENERAL)
+                        for src in data:
+                            # take data
+                            df_src = thermodb[component].check_property(
+                                src).data_structure()
+                            # take all symbols
+                            symbols = df_src['SYMBOL'].tolist()
+                            # looping through item data
+                            for symbol in symbols:
+                                # check
+                                if symbol is not None and symbol != 'None':
+                                    # symbol
+                                    symbol = str(symbol).strip()
+                                    # val
+                                    _val = thermodb[component].check_property(
+                                        src).get_property(str(symbol).strip())
+
+                                    # check symbol rename is required
+                                    if symbol in thermodb_rule[component]['DATA']:
+                                        # rename
+                                        symbol = thermodb_rule[component]['DATA'][symbol]
+
+                                    # update
+                                    datasource[component][symbol] = _val
+            # res
+            return datasource
+        except Exception as e:
+            raise Exception('Building datasource failed!, ', e)
+
+    def _set_equationsource(self, thermodb: dict, thermodb_rule: dict, components: list) -> dict:
+        '''
+        Sets equation source
+
+        Parameters
+        ----------
+        thermodb : dict
+            thermodb
+        thermodb_rule : dict
+            thermodb rule
+        components : list
+            list of components
+
+        Returns
+        -------
+        datasource : dict
+            datasource
+        '''
+        try:
+            # datasource
+            datasource = {}
+            for component in components:
+                if component in thermodb:
+                    # set
+                    datasource[component] = {}
+
+                    # component registered data/equations
+                    eq_data = list(
+                        thermodb[component].check_functions().keys())
+
+                    # check
+                    if len(eq_data) != 0:
+                        # parms
+                        for eq in eq_data:
+                            # get function structure
+                            # eq_str = thermodb[component].get_function(
+                            #     eq).eq_structure(1)
+
+                            # symbol
+                            symbol = str(eq).strip()
+                            # val
+                            _val = thermodb[component].check_function(
+                                eq)
+
+                            # check symbol rename is required
+                            if symbol in thermodb_rule[component]['EQUATIONS']:
+                                # rename
+                                symbol = thermodb_rule[component]['EQUATIONS'][symbol]
+
+                            datasource[component][symbol] = _val
+            # res
+            return datasource
+        except Exception as e:
+            raise Exception('Building datasource failed!, ', e)