EOS reports, diagnostics, calculations, and plots

Post-fit operations consume an immutable archive record. They never refit the data. Unless a record identifier is supplied, operations resolve the accepted record in the selected result slot.

Post-fit result contracts

quantas.api.eos.DiagnosticResult

alias of EOSDiagnosticResult

quantas.api.eos.CalculationResult

alias of EOSCalculationResult

Diagnostics

quantas.api.eos.diagnose(archive, *, slot=None, record_id=None, include_normalized_pressure=True)

Build residual and finite-strain diagnostics from an EOS archive.

Parameters:
archivestr or Path

Native EOS HDF5 archive.

slotstr, ResultSlot, or None, optional

Accepted result slot.

record_idint or None, optional

Explicit immutable record identifier.

include_normalized_pressurebool, optional

Include finite-strain and normalized-pressure columns where defined.

Returns:
DiagnosticResult

Observation-level residuals, summary statistics, and warnings.

Raises:
ValueError

If record selection is invalid or the diagnostic transformation is not defined for the selected model.

Parameters:

  • archive (str | Path)

  • slot (str | EOSResultSlot | None)

  • record_id (int | None)

  • include_normalized_pressure (bool)

Return type:

EOSDiagnosticResult

quantas.api.eos.diagnostic_summary_table(result)

Return residual and normalized-pressure availability information.

Parameters:

result (EOSDiagnosticResult)

Return type:

ReportTable

quantas.api.eos.diagnostic_table(result)

Return the complete residual and finite-strain diagnostic table.

Parameters:

result (EOSDiagnosticResult)

Return type:

ReportTable

quantas.api.eos.write_diagnostic_csv(result, path, *, overwrite=False)

Write residual and finite-strain diagnostics to CSV.

Parameters:

  • result (EOSDiagnosticResult)

  • path (str | Path)

  • overwrite (bool)

Return type:

Path

Calculations

quantas.api.eos.calculate(archive, *, slot=None, record_id=None, pressure=None, volume=None, temperature=None, propagate_uncertainty=True, relative_step=1e-05)

Evaluate fitted EOS properties from a native archive.

Parameters:
archivestr or Path

Native EOS HDF5 archive.

slotstr, ResultSlot, or None, optional

Accepted result slot.

record_idint or None, optional

Explicit immutable record identifier.

pressure, volume, temperaturearray-like, float, or None, optional

Coordinates for domain-appropriate property evaluation.

propagate_uncertaintybool, optional

Propagate the stored parameter covariance to calculated properties.

relative_stepfloat, optional

Relative finite-difference step used for uncertainty transformations without an analytical Jacobian.

Returns:
CalculationResult

Calculated state table, uncertainties, metadata, and warnings.

Raises:
ValueError

If coordinates are incomplete, incompatible, or outside mathematical model bounds.

Parameters:

  • archive (str | Path)

  • slot (str | EOSResultSlot | None)

  • record_id (int | None)

  • pressure (ndarray | Sequence[float] | float | None)

  • volume (ndarray | Sequence[float] | float | None)

  • temperature (ndarray | Sequence[float] | float | None)

  • propagate_uncertainty (bool)

  • relative_step (float)

Return type:

EOSCalculationResult

quantas.api.eos.calculation_summary_table(result)

Return source, model, propagation, and extrapolation information.

Parameters:

result (EOSCalculationResult)

Return type:

ReportTable

quantas.api.eos.calculation_table(result)

Return calculated values with adjacent one-sigma columns.

Parameters:

result (EOSCalculationResult)

Return type:

ReportTable

quantas.api.eos.write_calculation_csv(result, path, *, overwrite=False)

Write calculated properties and propagated uncertainties to CSV.

Parameters:

  • result (EOSCalculationResult)

  • path (str | Path)

  • overwrite (bool)

Return type:

Path

Batch reporting

quantas.api.eos.build_batch_preamble(dataset, plan, archive_path, options=None)

Build input and requested-configuration tables before execution.

Parameters:
datasetEOSDataset

Parsed and normalized input data.

planEOSBatchPlan

Declarative ordered batch plan.

archive_pathpath-like

Native HDF5 destination shown in the input summary.

optionsEOSReportOptions or None, optional

Reporting detail and input-row selection.

Returns:
tuple of ReportTable

Input identity, data, optional uncertainties, plan summary, and one normalized request table per job.

Parameters:

  • dataset (EOSDataset)

  • plan (EOSBatchPlan)

  • archive_path (Any)

  • options (EOSReportOptions | None)

Return type:

tuple[ReportTable, …]

quantas.api.eos.build_batch_report(result, options=None)

Build detailed results followed by compact batch summaries.

Parameters:

  • result (EOSBatchResult)

  • options (EOSReportOptions | None)

Return type:

tuple[ReportTable, …]

Plot preparation

quantas.api.eos.available_plot_types(archive, *, slot=None, record_id=None)

Return plots available for one EOS archive record.

Parameters:
archivestr or Path

Native EOS HDF5 archive.

slotstr, ResultSlot, or None, optional

Accepted domain/target slot.

record_idint or None, optional

Explicit immutable record identifier.

Returns:
tuple of str

Stable plot-type identifiers supported by the selected record.

Raises:
ValueError

If record selection is ambiguous or invalid.

Parameters:

  • archive (str | Path)

  • slot (str | EOSResultSlot | None)

  • record_id (int | None)

Return type:

tuple[str, …]

quantas.api.eos.build_plots(archive, plot_types=None, *, slot=None, record_id=None, options=None)

Build frontend-neutral EOS plot specifications.

Parameters:
archivestr or Path

Native EOS HDF5 archive.

plot_typessequence of str, str, or None, optional

Requested plot identifiers. Standard plots are selected when omitted.

slotstr, ResultSlot, or None, optional

Accepted result slot.

record_idint or None, optional

Explicit immutable record identifier.

optionsPlotOptions or None, optional

Uncertainty, curve, residual, and surface presentation metadata.

Returns:
PlotCollection

Neutral plot specifications ready for a frontend renderer.

Raises:
ValueError

If a plot type is unsupported or record selection is invalid.

Parameters:

  • archive (str | Path)

  • plot_types (Sequence[str] | str | None)

  • slot (str | EOSResultSlot | None)

  • record_id (int | None)

  • options (EOSPlotOptions | None)

Return type:

PlotCollection