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.

Google Colab

You can run PyThermoLinkDB in Google Colab:

Version	Scripts
1.0.0

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