https://github.com/sinagilassi/pythermolinkdb
A Python interface for connecting PyThermoDB to other applications and integrating thermodynamic data.
https://github.com/sinagilassi/pythermolinkdb
chemical-engineering chemistry pythermodb pythermolinkdb thermodynamic-calculations thermodynamics
Last synced: 6 months ago
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A Python interface for connecting PyThermoDB to other applications and integrating thermodynamic data.
- Host: GitHub
- URL: https://github.com/sinagilassi/pythermolinkdb
- Owner: sinagilassi
- License: apache-2.0
- Created: 2024-10-09T02:44:08.000Z (12 months ago)
- Default Branch: main
- Last Pushed: 2025-03-27T05:08:12.000Z (6 months ago)
- Last Synced: 2025-03-27T06:22:05.876Z (6 months ago)
- Topics: chemical-engineering, chemistry, pythermodb, pythermolinkdb, thermodynamic-calculations, thermodynamics
- Language: Python
- Homepage: https://pythermolinkdb.readthedocs.io/en/latest/
- Size: 37.1 KB
- Stars: 1
- Watchers: 1
- Forks: 0
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- License: LICENSE
Awesome Lists containing this project
README
   
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 | [](https://colab.research.google.com/drive/1JU1ljkHgKcBNe_CuSh2Bg7hoKwQUJti0?usp=sharing) |
## 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)