PyThermoLinkDB 1.0.0

PyThermoLinkDB is a Python package providing a robust and efficient interface between `PyThermoDB` and other applications.

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

import pyThermoLinkDB as ptdblink

# check version

print(ptdblink.__version__)

Usage Example

# import packages/modules

import pyThermoLinkDB as ptdblink

import pyThermoDB as ptdb

import os

from pprint import pprint as pp

LOAD THERMODB

# ! 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

# 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

# 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

Authors

• @sinagilassi