Merge pull request #16 from feos-org/v0.1.3

prehner · web-flow · commit 7f760fa13c74 · 2022-02-17T11:02:09.000+01:00
Release v0.1.3
diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -6,6 +6,10 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ## [Unreleased]
 
+## [0.1.3] - 2022-02-17
+### Fixed
+- The pore volume for `Pore3D` is now also accesible from Python. [#14](https://github.com/feos-org/feos-dft/pull/14)
+
 ## [0.1.2] - 2022-02-16
 ### Added
 - The pore volume using Helium at 298 K as reference is now directly accesible from `Pore1D` and `Pore3D`. [#13](https://github.com/feos-org/feos-dft/pull/13)
diff --git a/Cargo.toml b/Cargo.toml
@@ -1,6 +1,6 @@
 [package]
 name = "feos-dft"
-version = "0.1.2"
+version = "0.1.3"
 authors = ["Philipp Rehner <prehner@ethz.ch>"]
 edition = "2018"
 license = "MIT OR Apache-2.0"
diff --git a/build_wheel/Cargo.toml b/build_wheel/Cargo.toml
@@ -1,6 +1,6 @@
 [package]
 name = "feos_dft"
-version = "0.1.2"
+version = "0.1.3"
 authors = ["Philipp Rehner <prehner@ethz.ch"]
 edition = "2018"
 
diff --git a/src/python/adsorption/pore.rs b/src/python/adsorption/pore.rs
@@ -9,7 +9,7 @@ macro_rules! impl_pore {
         ///     The pore geometry.
         /// pore_size : SINumber
         ///     The width of the slit pore in cartesian coordinates,
-        ///     or the pore radius in spherical and cylindircal coordinates.
+        ///     or the pore radius in spherical and cylindrical coordinates.
         /// potential : ExternalPotential
         ///     The potential used to model wall-fluid interactions.
         /// n_grid : int, optional
@@ -175,6 +175,12 @@ macro_rules! impl_pore {
                     external_potential.map(|e| e.to_owned_array()).as_ref(),
                 )?))
             }
+
+            /// The pore volume using Helium at 298 K as reference.
+            #[getter]
+            fn get_pore_volume(&self) -> PyResult<PySINumber> {
+                Ok(self.0.pore_volume()?.into())
+            }
         }
 
         #[pymethods]
