Class ThermoMLBridge

java.lang.Object

org.episteme.natural.physics.loaders.thermoml.ThermoMLBridge

public class ThermoMLBridge
extends Object

Bridge for converting ThermoML DTOs to core Episteme thermodynamics objects.

ThermoML is the IUPAC XML standard for thermophysical and thermochemical data. This bridge converts parsed ThermoML to Episteme chemistry and measurement structures.

Architecture

ThermoML → ThermoMLReader → ThermoML DTOs → ThermoMLBridge → Core Objects
                                                             ├── Molecule
                                                             ├── ThermodynamicProperty
                                                             └── ThermodynamicDataset

Since:

1.0

Author:

Silvere Martin-Michiellot, Gemini AI (Google DeepMind)

Constructor Summary

Constructors

Constructor	Description
ThermoMLBridge()

Method Summary

Modifier and Type	Method	Description
Molecule	convertCompound(ThermoMLCompound compound)	Converts ThermoML compound to Episteme Molecule.
ThermodynamicProperty	convertMixtureProperty(ThermoMLMixtureProperty prop, Map<String,Molecule> compoundMap)	Converts ThermoML mixture property.
ThermodynamicProperty	convertPureProperty(ThermoMLPureCompoundProperty prop, Map<String,Molecule> compoundMap)	Converts ThermoML pure compound property.
ThermodynamicDataset	toDataset(ThermoMLDataReport thermoData)	Converts ThermoML data container to Episteme ThermodynamicDataset.

Methods inherited from class Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details

ThermoMLBridge

public ThermoMLBridge()

Method Details

toDataset

public ThermodynamicDataset toDataset(ThermoMLDataReport thermoData)

Converts ThermoML data container to Episteme ThermodynamicDataset.

Parameters:

thermoData - the parsed ThermoML container

Returns:

a ThermodynamicDataset with all compounds and properties

convertCompound

public Molecule convertCompound(ThermoMLCompound compound)

Converts ThermoML compound to Episteme Molecule.

convertPureProperty

public ThermodynamicProperty convertPureProperty(ThermoMLPureCompoundProperty prop,
 Map<String,Molecule> compoundMap)

Converts ThermoML pure compound property.

convertMixtureProperty

public ThermodynamicProperty convertMixtureProperty(ThermoMLMixtureProperty prop,
 Map<String,Molecule> compoundMap)

Converts ThermoML mixture property.