Class ThermoMLDataReport

java.lang.Object
org.episteme.natural.physics.loaders.thermoml.ThermoMLDataReport
public class ThermoMLDataReport extends Object
Represents a ThermoML data report containing thermodynamic property data.

A data report encapsulates all information from a ThermoML document including:

  • Compound information (names, formulas, identifiers)
  • Property values with associated conditions and uncertainties
  • Citation and provenance information

Since:
1.0
Author:
Silvere Martin-Michiellot, Gemini AI (Google DeepMind)

  • Constructor Details

    • ThermoMLDataReport

      public ThermoMLDataReport()
      Creates an empty data report.

  • Method Details

    • getVersion

      public String getVersion()

    • setVersion

      public void setVersion(String v)

    • getCitation

      public String getCitation()

    • setCitation

      public void setCitation(String c)

    • getPureCompoundProperties

      public List<ThermoMLPureCompoundProperty> getPureCompoundProperties()

    • addPureCompoundProperty

      public void addPureCompoundProperty(ThermoMLPureCompoundProperty p)

    • getMixtureProperties

      public List<ThermoMLMixtureProperty> getMixtureProperties()

    • addMixtureProperty

      public void addMixtureProperty(ThermoMLMixtureProperty p)

    • getTitle

      public String getTitle()
      Returns the title of this data report.

    • setTitle

      public void setTitle(String title)
      Sets the title of this data report.

    • getSource

      public String getSource()
      Returns the source/citation of this data.

    • setSource

      public void setSource(String source)
      Sets the source/citation of this data.

    • getDoi

      public String getDoi()
      Returns the DOI of the source publication.

    • setDoi

      public void setDoi(String doi)
      Sets the DOI of the source publication.

    • getCompounds

      public List<ThermoMLCompound> getCompounds()
      Returns an unmodifiable list of compounds in this report.

    • addCompound

      public void addCompound(ThermoMLCompound compound)
      Adds a compound to this report.

    • getPropertyValues

      public List<ThermoMLPropertyValue> getPropertyValues()
      Returns an unmodifiable list of property values.

    • addPropertyValue

      public void addPropertyValue(ThermoMLPropertyValue value)
      Adds a property value to this report.

    • addPropertyValues

      public void addPropertyValues(List<ThermoMLPropertyValue> values)
      Adds multiple property values to this report.

    • getCompoundCount

      public int getCompoundCount()
      Returns the number of compounds in this report.

    • getPropertyValueCount

      public int getPropertyValueCount()
      Returns the number of property values in this report.

    • toString

      public String toString()
      Overrides:
      toString in class Object