Add extrap options

[chengcli]

No description provided.

[Copilot]

Pull request overview

This PR refactors the adiabatic extrapolation API by replacing two overloaded extrapolate_ad functions with more descriptive names (extrapolate_dlnp and extrapolate_dz) and introducing an ExtrapOptions struct to encapsulate the parameters. This improves code clarity by making the function names more explicit about their purpose and consolidating related parameters into a structured options object.

Key Changes:

• Introduced ExtrapOptions struct to encapsulate extrapolation parameters (dlnp, dz, grav, ds_dlnp, ds_dz, verbose)
• Renamed extrapolate_ad(temp, pres, xfrac, dlnp, ...) to extrapolate_dlnp(temp, pres, xfrac, ExtrapOptions)
• Renamed extrapolate_ad(temp, pres, xfrac, grav, dz, ...) to extrapolate_dz(temp, pres, xfrac, ExtrapOptions)

Reviewed changes

Copilot reviewed 4 out of 4 changed files in this pull request and generated 3 comments.

File	Description
src/thermo/thermo.hpp	Added ExtrapOptions struct definition and updated function signatures to use the new options-based API
src/thermo/extrapolate_ad.cpp	Renamed functions to extrapolate_dlnp and extrapolate_dz, updated implementations to extract parameters from ExtrapOptions
python/csrc/pythermo.cpp	Updated Python bindings with lambda wrappers that convert individual parameters to ExtrapOptions for backward compatibility
tests/test_thermo.cpp	Updated test to use new extrapolate_dlnp function with ExtrapOptions

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[Copilot]

The default value for grav should be 0. (with decimal point) to be consistent with other double-type fields in the struct (like dlnp, dz, ds_dlnp, and ds_dz which all use 0.). Currently it's 0 without the decimal point.

Suggested change

	ADD_ARG(double, grav) = 0;
	ADD_ARG(double, grav) = 0.;

[Copilot]

The comments for struct fields are misplaced. The comment "// Height change (m)" on line 90 should appear before the dz field on line 86, not before ds_dz. Similarly, the comment "// Gravitational acceleration (m/s^2), positive" on line 87-88 should appear before the grav field on line 88. Consider reorganizing the fields and comments so that each comment directly precedes its corresponding field definition.

Suggested change

	ADD_ARG(double, dz) = 0.;
	// Gravitational acceleration (m/s^2), positive
	ADD_ARG(double, grav) = 0;
	ADD_ARG(double, ds_dlnp) = 0;
	// Height change (m)
	// Height change (m)
	ADD_ARG(double, dz) = 0.;
	// Gravitational acceleration (m/s^2), positive
	ADD_ARG(double, grav) = 0;
	ADD_ARG(double, ds_dlnp) = 0;

[Copilot]

The parameter order for extrapolate_dz has been changed from the original (temp, pres, xfrac, grav, dz, ds_dz, verbose) to (temp, pres, xfrac, dz, grav, ds_dz, verbose). This is a breaking API change - the positions of dz and grav have been swapped. Existing Python code using this function will silently get incorrect results (e.g., passing grav=9.8, dz=100 will be interpreted as dz=9.8, grav=100). Either restore the original parameter order or ensure this breaking change is intentional and well-documented.

Suggested change

	torch::Tensor xfrac, double dz, double grav, double ds_dz,
	bool verbose) {
	kintera::ExtrapOptions opts;
	opts.dz(dz).grav(grav).ds_dz(ds_dz).verbose(verbose);
	return self.extrapolate_dz(temp, pres, xfrac, opts);
	},
	py::arg("temp"), py::arg("pres"), py::arg("xfrac"), py::arg("dz"),
	py::arg("grav"), py::arg("ds_dz") = 0., py::arg("verbose") = false);
	torch::Tensor xfrac, double grav, double dz, double ds_dz,
	bool verbose) {
	kintera::ExtrapOptions opts;
	opts.grav(grav).dz(dz).ds_dz(ds_dz).verbose(verbose);
	return self.extrapolate_dz(temp, pres, xfrac, opts);
	},
	py::arg("temp"), py::arg("pres"), py::arg("xfrac"), py::arg("grav"),
	py::arg("dz"), py::arg("ds_dz") = 0., py::arg("verbose") = false);

[github-actions]

🎉 Released v1.2.7!

What's Changed

• Add extrap options by @chengcli in Add extrap options #67

Full Changelog: v1.2.6...v1.2.7