option to import component properties from chemicals database

[EvenSol]

Added a JPype implementation for SystemInterface.useExtendedDatabase, plus supporting helpers that pull critical data from the chemicals package whenever a component is absent from the built‑in NeqSim database.

Updated addComponent to fall back on the extended database for unknown species while preserving the existing paths for native components, restricting the extended lookup to mole-based additions.

Declared the optional chemicals dependency via a new Poetry extra so projects can opt into the extended database support.

Added a pytest that exercises the new extended database workflow by creating a fluid containing dimethylsulfoxide with chemicals-sourced data.

[Copilot]

Pull Request Overview

This PR introduces support for importing component properties from an external chemicals database when components are not found in NeqSim's built-in database. The implementation allows users to opt into extended database functionality via a new useExtendedDatabase method, falling back to the chemicals package for critical property data when needed.

Key changes:

• Added JPype implementation of SystemInterface.useExtendedDatabase to enable/disable extended database lookups
• Modified addComponent methods to automatically retrieve component properties from the chemicals package for unknown components
• Created helper classes and functions to interface with the chemicals package and apply retrieved properties

Reviewed Changes

Copilot reviewed 2 out of 2 changed files in this pull request and generated 5 comments.

File	Description
tests/test_extended_database.py	Adds pytest tests validating extended database functionality with dimethylsulfoxide as a test component
src/neqsim/thermo/thermoTools.py	Implements extended database provider, JPype interface customization, and fallback logic in addComponent methods

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[Copilot]

Catching bare Exception silences all errors including unexpected ones. Consider catching specific exceptions that are expected during the function call, or at minimum log the error before returning None so debugging is possible.

Suggested change

	except Exception: # pragma: no cover - defensive fallback
	except Exception: # pragma: no cover - defensive fallback
	logger.exception(f"Unexpected error in _call_optional for func={func} and cas={cas}")

[Copilot]

Catching bare Exception and silently continuing could hide critical errors. Consider catching specific exceptions or logging the error to aid debugging when phase retrieval fails unexpectedly.

Suggested change

	except Exception: # pragma: no cover - defensive fallback
	except Exception as e: # pragma: no cover - defensive fallback
	logger.warning(
	"Failed to get phase at index %d in system %r: %s",
	phase_index, system, e,
	exc_info=True
	)

[Copilot]

Catching bare Exception silently falls back to the original name. Consider catching specific exceptions (e.g., AttributeError, TypeError) or logging when alias resolution fails to help diagnose configuration issues.

Suggested change

	except Exception: # pragma: no cover - defensive alias resolution
	return name
	except (AttributeError, TypeError) as e: # pragma: no cover - defensive alias resolution
	logger.warning(f"Alias resolution failed for '{name}': {e}")
	return name
	except Exception as e:
	logger.error(f"Unexpected error during alias resolution for '{name}': {e}", exc_info=True)
	return name