diff --git a/docs/api/pets.md b/docs/api/pets.md index c3272f532..587d413a0 100644 --- a/docs/api/pets.md +++ b/docs/api/pets.md @@ -13,9 +13,9 @@ Identifier IdentifierOption - ChemicalRecord PureRecord BinaryRecord + PetsBinaryRecord PetsRecord PetsParameters -``` \ No newline at end of file +``` diff --git a/docs/api/saftvrqmie.md b/docs/api/saftvrqmie.md index 09454be22..f0d460944 100644 --- a/docs/api/saftvrqmie.md +++ b/docs/api/saftvrqmie.md @@ -24,5 +24,6 @@ parameters = SaftVRQMieParameters.from_json(['hydrogen', 'neon'], 'parameters.js PureRecord BinaryRecord SaftVRQMieRecord + SaftVRQMieBinaryRecord SaftVRQMieParameters -``` \ No newline at end of file +``` diff --git a/docs/api/uvtheory.md b/docs/api/uvtheory.md index 33775ef61..41c6d0805 100644 --- a/docs/api/uvtheory.md +++ b/docs/api/uvtheory.md @@ -20,10 +20,10 @@ parameters = UVTheoryParameters.from_json(['methane', 'ethane'], 'parameters.jso Identifier IdentifierOption - ChemicalRecord PureRecord BinaryRecord Perturbation UVTheoryRecord + UVTheoryBinaryRecord UVTheoryParameters -``` \ No newline at end of file +``` diff --git a/src/pcsaft/python.rs b/src/pcsaft/python.rs index dcc4f0820..73279accb 100644 --- a/src/pcsaft/python.rs +++ b/src/pcsaft/python.rs @@ -159,6 +159,7 @@ impl_json_handling!(PyPcSaftRecord); impl_pure_record!(PcSaftRecord, PyPcSaftRecord); impl_segment_record!(PcSaftRecord, PyPcSaftRecord); +/// Create a record for a binary interaction parameter. #[pyclass(name = "PcSaftBinaryRecord")] #[derive(Clone)] pub struct PyPcSaftBinaryRecord(PcSaftBinaryRecord); diff --git a/src/pets/python.rs b/src/pets/python.rs index 329c64168..d04e19e1c 100644 --- a/src/pets/python.rs +++ b/src/pets/python.rs @@ -69,6 +69,7 @@ impl PyPetsRecord { impl_json_handling!(PyPetsRecord); impl_pure_record!(PetsRecord, PyPetsRecord); +/// Create a record for a binary interaction parameter, i.e. k_ij. #[pyclass(name = "PetsBinaryRecord")] #[derive(Clone)] pub struct PyPetsBinaryRecord(PetsBinaryRecord); @@ -242,9 +243,9 @@ impl_parameter!( pub fn pets(m: &Bound<'_, PyModule>) -> PyResult<()> { m.add_class::()?; m.add_class::()?; - m.add_class::()?; m.add_class::()?; + m.add_class::()?; m.add_class::()?; m.add_class::()?; m.add_class::()?; diff --git a/src/saftvrmie/python.rs b/src/saftvrmie/python.rs index 7dcb677e1..3817740e2 100644 --- a/src/saftvrmie/python.rs +++ b/src/saftvrmie/python.rs @@ -203,6 +203,7 @@ impl PySaftVRMieRecord { impl_json_handling!(PySaftVRMieRecord); impl_pure_record!(SaftVRMieRecord, PySaftVRMieRecord); +/// Create a record for a binary interaction parameter. #[pyclass(name = "SaftVRMieBinaryRecord")] #[derive(Clone)] pub struct PySaftVRMieBinaryRecord(SaftVRMieBinaryRecord); diff --git a/src/saftvrqmie/python.rs b/src/saftvrqmie/python.rs index 816913e2f..dd55a4467 100644 --- a/src/saftvrqmie/python.rs +++ b/src/saftvrqmie/python.rs @@ -351,6 +351,7 @@ pub fn saftvrqmie(m: &Bound<'_, PyModule>) -> PyResult<()> { m.add_class::()?; m.add_class::()?; + m.add_class::()?; m.add_class::()?; m.add_class::()?; m.add_class::()?; diff --git a/src/uvtheory/python.rs b/src/uvtheory/python.rs index d5817b775..d03a226a0 100644 --- a/src/uvtheory/python.rs +++ b/src/uvtheory/python.rs @@ -133,10 +133,10 @@ impl_parameter!( pub fn uvtheory(m: &Bound<'_, PyModule>) -> PyResult<()> { m.add_class::()?; m.add_class::()?; - m.add_class::()?; m.add_class::()?; m.add_class::()?; + m.add_class::()?; m.add_class::()?; m.add_class::()?; m.add_class::()?;