Standardize naming of molar properties and fix typos in docs (#35)

src/parameter/mod.rs

@@ -61,7 +61,7 @@ where
         Self::from_records(pure_records, binary_record)
     }
 
-    /// Return the original pure and binary records that werde used to construct the parameters.
+    /// Return the original pure and binary records that were used to construct the parameters.
     #[allow(clippy::type_complexity)]
     fn records(
         &self,

src/python/phase_equilibria.rs

@@ -132,7 +132,7 @@ macro_rules! impl_vle_state {
             /// RuntimeError
             ///     When pressure iteration fails or no phase equilibrium is found.
             #[staticmethod]
-            #[pyo3(text_signature = "(eos, temperature, pressure, feed, initial_vle_state=None, max_iter=None, tol=None, verbosity=None, non_volatile_components=None)")]
+            #[pyo3(text_signature = "(eos, temperature, pressure, feed, init_vle_state=None, max_iter=None, tol=None, verbosity=None, non_volatile_components=None)")]
             pub fn tp_flash(
                 eos: $py_eos,
                 temperature: PySINumber,
@@ -676,7 +676,7 @@ macro_rules! impl_vle_state {
             /// ------
             /// RuntimeError
             ///     When pressure iteration fails or no phase equilibrium is found.
-            #[pyo3(text_signature = "($self, initial_vle_state=None, max_iter=None, tol=None, verbosity=None, non_volatile_components=None)")]
+            #[pyo3(text_signature = "($self, init_vle_state=None, max_iter=None, tol=None, verbosity=None, non_volatile_components=None)")]
             pub fn tp_flash(
                 &self,
                 init_vle_state: Option<&PyPhaseEquilibrium>,

src/python/state.rs

@@ -22,19 +22,21 @@ macro_rules! impl_state {
         /// molefracs : numpy.ndarray[float]
         ///     Molar fraction of each component.
         /// pressure : SINumber, optional
-        ///     System pressure.
-        /// enthalpy : SINumber, optional
-        ///     System enthalpy.
-        /// entropy : SINumber, optional
-        ///     System entropy.
+        ///     Pressure.
+        /// molar_enthalpy : SINumber, optional
+        ///     Molar enthalpy.
+        /// molar_entropy : SINumber, optional
+        ///     Molar entropy.
+        /// molar_internal_energy: SINumber, optional
+        ///     Molar internal energy
         /// density_initialization : {'vapor', 'liquid', SINumber, None}, optional
         ///     Method used to initialize density for density iteration.
         ///     'vapor' and 'liquid' are inferred from the maximum density of the equation of state.
         ///     If no density or keyword is provided, the vapor and liquid phase is tested and, if
         ///     different, the result with the lower free energy is returned.
         /// initial_temperature : SINumber, optional
         ///     Initial temperature for temperature iteration. Can improve convergence
-        ///     when the state is specified with pressure and entropy or enthalpy.
+        ///     when the state is specified with pressure and molar entropy or enthalpy.
         ///
         /// Returns
         /// -------
@@ -46,7 +48,7 @@ macro_rules! impl_state {
         ///     When the state cannot be created using the combination of input.
         #[pyclass(name = "State", unsendable)]
         #[derive(Clone)]
-        #[pyo3(text_signature = "(eos, temperature=None, volume=None, density=None, partial_density=None, total_moles=None, moles=None, molefracs=None, pressure=None, enthalpy=None, entropy=None, density_initialization=None, initial_temperature=None)")]
+        #[pyo3(text_signature = "(eos, temperature=None, volume=None, density=None, partial_density=None, total_moles=None, moles=None, molefracs=None, pressure=None, molar_enthalpy=None, molar_entropy=None, molar_internal_energy=None, density_initialization=None, initial_temperature=None)")]
         pub struct PyState(pub State<SIUnit, $eos>);
 
         #[pymethods]
@@ -62,9 +64,9 @@ macro_rules! impl_state {
                 moles: Option<PySIArray1>,
                 molefracs: Option<&PyArray1<f64>>,
                 pressure: Option<PySINumber>,
-                enthalpy: Option<PySINumber>,
-                entropy: Option<PySINumber>,
-                internal_energy: Option<PySINumber>,
+                molar_enthalpy: Option<PySINumber>,
+                molar_entropy: Option<PySINumber>,
+                molar_internal_energy: Option<PySINumber>,
                 density_initialization: Option<&PyAny>,
                 initial_temperature: Option<PySINumber>,
             ) -> PyResult<Self> {
@@ -98,9 +100,9 @@ macro_rules! impl_state {
                     moles.as_deref(),
                     x.as_ref(),
                     pressure.map(|s| s.into()),
-                    enthalpy.map(|s| s.into()),
-                    entropy.map(|s| s.into()),
-                    internal_energy.map(|s| s.into()),
+                    molar_enthalpy.map(|s| s.into()),
+                    molar_entropy.map(|s| s.into()),
+                    molar_internal_energy.map(|s| s.into()),
                     density_init?,
                     initial_temperature.map(|s| s.into()),
                 )?;

src/state/builder.rs

@@ -63,9 +63,9 @@ pub struct StateBuilder<'a, U: EosUnit, E: EquationOfState> {
     moles: Option<&'a QuantityArray1<U>>,
     molefracs: Option<&'a Array1<f64>>,
     pressure: Option<QuantityScalar<U>>,
-    enthalpy: Option<QuantityScalar<U>>,
-    entropy: Option<QuantityScalar<U>>,
-    internal_energy: Option<QuantityScalar<U>>,
+    molar_enthalpy: Option<QuantityScalar<U>>,
+    molar_entropy: Option<QuantityScalar<U>>,
+    molar_internal_energy: Option<QuantityScalar<U>>,
     density_initialization: DensityInitialization<U>,
     initial_temperature: Option<QuantityScalar<U>>,
 }
@@ -83,9 +83,9 @@ impl<'a, U: EosUnit, E: EquationOfState> StateBuilder<'a, U, E> {
             moles: None,
             molefracs: None,
             pressure: None,
-            enthalpy: None,
-            entropy: None,
-            internal_energy: None,
+            molar_enthalpy: None,
+            molar_entropy: None,
+            molar_internal_energy: None,
             density_initialization: DensityInitialization::None,
             initial_temperature: None,
         }
@@ -139,21 +139,21 @@ impl<'a, U: EosUnit, E: EquationOfState> StateBuilder<'a, U, E> {
         self
     }
 
-    /// Provide the enthalpy for the new state.
-    pub fn enthalpy(mut self, enthalpy: QuantityScalar<U>) -> Self {
-        self.enthalpy = Some(enthalpy);
+    /// Provide the molar enthalpy for the new state.
+    pub fn molar_enthalpy(mut self, molar_enthalpy: QuantityScalar<U>) -> Self {
+        self.molar_enthalpy = Some(molar_enthalpy);
         self
     }
 
-    /// Provide the entropy for the new state.
-    pub fn entropy(mut self, entropy: QuantityScalar<U>) -> Self {
-        self.entropy = Some(entropy);
+    /// Provide the molar entropy for the new state.
+    pub fn molar_entropy(mut self, molar_entropy: QuantityScalar<U>) -> Self {
+        self.molar_entropy = Some(molar_entropy);
         self
     }
 
-    /// Provide the internal energy for the new state.
-    pub fn internal_energy(mut self, internal_energy: QuantityScalar<U>) -> Self {
-        self.internal_energy = Some(internal_energy);
+    /// Provide the molar internal energy for the new state.
+    pub fn molar_internal_energy(mut self, molar_internal_energy: QuantityScalar<U>) -> Self {
+        self.molar_internal_energy = Some(molar_internal_energy);
         self
     }
 
@@ -193,9 +193,9 @@ impl<'a, U: EosUnit, E: EquationOfState> StateBuilder<'a, U, E> {
             self.moles,
             self.molefracs,
             self.pressure,
-            self.enthalpy,
-            self.entropy,
-            self.internal_energy,
+            self.molar_enthalpy,
+            self.molar_entropy,
+            self.molar_internal_energy,
             self.density_initialization,
             self.initial_temperature,
         )
@@ -214,9 +214,9 @@ impl<'a, U: EosUnit, E: EquationOfState> Clone for StateBuilder<'a, U, E> {
             moles: self.moles,
             molefracs: self.molefracs,
             pressure: self.pressure,
-            enthalpy: self.enthalpy,
-            entropy: self.entropy,
-            internal_energy: self.internal_energy,
+            molar_enthalpy: self.molar_enthalpy,
+            molar_entropy: self.molar_entropy,
+            molar_internal_energy: self.molar_internal_energy,
             density_initialization: self.density_initialization,
             initial_temperature: self.initial_temperature,
         }