Python API#

Complete API documentation for UCLCHEM’s Python interface.

Essential Python API#

Core modules for running models and analyzing results:

Advanced Python API#

For advanced usage and customization:

uclchem.plot

Supporting Modules#

Internal modules and utilities:

Fortran Modules#

Direct access to compiled Fortran modules and parameters:

Quick Start#

Model Classes (Recommended for Most Users)

import uclchem

# Create and run a cloud model
cloud = uclchem.model.Cloud(
    param_dict={'initialDens': 1e4, 'finalTime': 1e6},
    out_species=['CO', 'H2O']
)

# Access results as DataFrame
df = cloud.get_dataframe()

# Analyze chemistry
uclchem.analysis.plot_abundance(df, 'CO')

Analysis & Post-Processing

import uclchem

# Read and analyze existing output
df = uclchem.analysis.read_uclchem(['CO', 'H2O'], 'output.dat')

# Chemical network analysis
rates = uclchem.analysis.get_reaction_rates(['H2', 'H', 'O2'])
uclchem.analysis.plot_heating_cooling(df)

Network Customization

from uclchem.makerates import MakeRates

# Generate custom chemical network
network = MakeRates(
    species_list=['H', 'H2', 'O', 'CO'],
    elements=['H', 'C', 'O']
)
network.write_network()

Advanced: Direct Fortran Access

import uclchem

# Access Fortran parameters at runtime
settings = uclchem.advanced.GeneralSettings()
print(settings.defaultparameters.initialdens.get())

# Modify parameters
settings.defaultparameters.initialdens.set(1e5)

Module Guide#

Essential Modules (start here):

uclchem.model - Object-oriented model classes (Cloud, Collapse, HotCore, Shock)
uclchem.analysis - Chemical analysis and plotting tools
uclchem.utils - Utility functions for I/O and data processing
uclchem.makerates - Chemical network generation

Advanced Modules (for customization):

uclchem.functional - Legacy functional API (disk/memory modes)
uclchem.advanced - Direct Fortran module access via GeneralSettings
uclchem.plot - Additional plotting utilities

Internal Modules (reference only):

uclchem.constants - Physical constants
uclchem.version - Version information
uclchem.debug - Debugging utilities
uclchem.tests - Test suite

Notes#

Most users only need the Essential Modules (model, analysis, utils)
Python API is auto-generated from source code docstrings
Fortran API is auto-generated from compiled modules at build time
See Tutorials for practical examples
See Parameters Reference for parameter configuration guide