Skip to content

Replace impl_pure_record and similar macros with common Python classes #271

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
prehner merged 14 commits into from
Apr 7, 2025
Merged

Replace impl_pure_record and similar macros with common Python classes #271

Changes from 1 commit
Commits
Show all changes
14 commits
Select commit Hold shift + click to select a range
63aa74e
Replace impl_pure_record and similar macros with common Python classes
prehner Feb 13, 2025
218d92f
cleanup
prehner Feb 13, 2025
ee85cbb
add other models
prehner Feb 13, 2025
67b64cd
revive methods of impl_parameters (except for from_model_records)
prehner Feb 13, 2025
be4c6f2
generalize model_records as serde_json::Value
g-bauer Mar 18, 2025
ab54293
Merge branch 'main' into pure_record
g-bauer Mar 18, 2025
812c50a
undo changes to indexmap dependency
prehner Apr 5, 2025
52725da
Introduce PyParameters and PyGcParameters to get rid of the impl_para…
prehner Apr 5, 2025
371022b
make pythonize dependency optional
prehner Apr 7, 2025
724e417
also make itertools dependency optional
prehner Apr 7, 2025
f60df55
Add non-pcsaft models
prehner Apr 7, 2025
d1fb4f9
Fix bug in handling of binary parameters
prehner Apr 7, 2025
59aa29b
Add markdown representation to `PyParameters`
prehner Apr 7, 2025
94e5a59
Add repr to Parameters
prehner Apr 7, 2025
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
Prev Previous commit
Add repr to Parameters
  • Loading branch information
@prehner
prehner committed Apr 7, 2025
commit 94e5a5977e46e16e693c9ae3bec885cd86551702
72 changes: 41 additions & 31 deletions feos-core/src/python/parameter/mod.rs
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -200,6 +200,7 @@ pub struct PyPureRecord {
#[pyo3(get)]
identifier: Identifier,
#[pyo3(get)]
#[serde(default)]
molarweight: f64,
model_record: Value,
}
Expand Down Expand Up @@ -659,37 +660,37 @@ impl PyParameters {
Self::from_records(pure_records, binary_records, identifier_option)
}

// /// Generates JSON-formatted string for pure and binary records (if initialized).
// ///
// /// Parameters
// /// ----------
// /// pretty : bool
// /// Whether to use pretty (True) or dense (False) formatting. Defaults to True.
// ///
// /// Returns
// /// -------
// /// str : The JSON-formatted string.
// #[pyo3(
// signature = (pretty=true),
// text_signature = "(pretty=True)"
// )]
// fn to_json_str(&self, pretty: bool) -> Result<(String, Option<String>), ParameterError> {
// let pr_json = if pretty {
// serde_json::to_string_pretty(&self.pure_records)
// } else {
// serde_json::to_string(&self.pure_records)
// }?;
// let br_json = (!self.binary_records.is_empty())
// .then(|| {
// if pretty {
// serde_json::to_string_pretty(&self.binary_records)
// } else {
// serde_json::to_string(&self.binary_records)
// }
// })
// .transpose()?;
// Ok((pr_json, br_json))
// }
/// Generates JSON-formatted string for pure and binary records (if initialized).
///
/// Parameters
/// ----------
/// pretty : bool
/// Whether to use pretty (True) or dense (False) formatting. Defaults to True.
///
/// Returns
/// -------
/// str : The JSON-formatted string.
#[pyo3(
signature = (pretty=true),
text_signature = "(pretty=True)"
)]
fn to_json_str(&self, pretty: bool) -> Result<(String, Option<String>), ParameterError> {
let pr_json = if pretty {
serde_json::to_string_pretty(&self.pure_records)
} else {
serde_json::to_string(&self.pure_records)
}?;
let br_json = (!self.binary_records.is_empty())
.then(|| {
if pretty {
serde_json::to_string_pretty(&self.binary_records)
} else {
serde_json::to_string(&self.binary_records)
}
})
.transpose()?;
Ok((pr_json, br_json))
}

#[getter]
fn get_binary_records<'py>(
Expand All @@ -699,6 +700,15 @@ impl PyParameters {
pythonize(py, &self.binary_records)
}

fn __repr__(&self) -> Result<String, ParameterError> {
let (mut pr, br) = self.to_json_str(true)?;
if let Some(br) = br {
pr += "\n\n";
pr += &br;
}
Ok(pr)
}

fn _repr_markdown_(&self) -> String {
// crate consistent list of component names
let component_names: Vec<_> = self
Expand Down