Corrected interface to idealenthalpysingle

addon/pyTests/README.md

@@ -0,0 +1,34 @@
+# Python side Test-Suite for ThermoPack
+
+* [Running tests](#running-tests)
+* [Adding tests](#tools-for-adding-tests)
+* [Test modules](#test-modules)
+
+## Running tests
+This directory contains test modules to be run with [`pytest`](https://docs.pytest.org/en/8.1.x/), which can be installed with
+```bash
+pip install pytest
+```
+
+To run the entire test suite,
+```bash
+pytest addon/pyTests/
+```
+
+To run a specific test module,
+```bash
+pytest addon/pyTests/my_module.py
+```
+
+To run a specific test function,
+```bash
+pytest addon/pyTests/my_module.py::my_function
+```
+
+## Tools for adding tests
+The module `./tools.py` contains various utility methods and variables that can be convenient when writing new tests, such as 
+`check_eq(a, b, tol)`, and `ALL_EOS`, which can be convenient to use with `pytest.mark.parametrize`
+
+## Test modules
+
+* `test_issues.py` - Tests to ensure that previously resolved issues 

addon/pyTests/test_issues.py

@@ -0,0 +1,16 @@
+"""
+Test module to ensure that previously resolved issues remain resolved. Test functions are named test_issue_XXX, where XXX is
+the number of the issue, or test_pr_YYY, where YYY is the number of the relevant PR if there is no issue to reference.
+
+When an issue is resolved, a test with code that triggered it before resolution should be added here.
+"""
+from tools import ALL_CUBIC, check_eq
+from pytest import mark
+
+@mark.parametrize('eos', ALL_CUBIC)
+def test_pr_114(eos):
+    T = 300
+    eos = eos('ETOH,C2')
+    h1 = eos.idealenthalpysingle(1, T)
+    h2, dh = eos.idealenthalpysingle(1, T, dhdt=True)
+    assert check_eq(h1, h2)

addon/pyTests/tools.py

@@ -0,0 +1,23 @@
+from thermopack.cubic import SoaveRedlichKwong, SchmidtWensel, PengRobinson, PengRobinson78, PatelTeja, VanDerWaals
+from thermopack.saftvrmie import saftvrmie
+from thermopack.pcsaft import PCP_SAFT, SPC_SAFT
+from thermopack.saftvrqmie import saftvrqmie
+from thermopack.cpa import SRK_CPA, PR_CPA
+from thermopack.quantum_cubic import qcubic
+from thermopack.extended_csp import ext_csp
+from thermopack.lee_kesler import lee_kesler
+from thermopack.ljs_bh import ljs_bh
+from thermopack.ljs_wca import ljs_uv, ljs_wca, ljs_wca_base
+from thermopack.pets import pets
+from thermopack.tcPR import tcPR
+
+ALL_CUBIC = [SoaveRedlichKwong, SchmidtWensel, PengRobinson, PengRobinson78, PatelTeja, VanDerWaals, tcPR, lee_kesler,
+             qcubic]
+ALL_SAFT = [saftvrmie, saftvrqmie, PCP_SAFT, SPC_SAFT]
+
+# List of all eos that can be initialized with eos(comps), for easy use with pytest.mark.parametrize
+ALL_NO_CPA = [*ALL_CUBIC, *ALL_SAFT, qcubic]
+ALL_COMP_EOS = [*ALL_NO_CPA, SRK_CPA, PR_CPA]
+
+def check_eq(a, b, tol=1e-10):
+    return abs(a - b) < tol

addon/pycThermopack/thermopack/thermo.py

@@ -1529,7 +1529,7 @@ def idealenthalpysingle(self, temp, j, dhdt=None):
         if not dhdt is None:
             return_tuple += (dhdt_c[0], )
 
-        prop = utils.Property.from_return_tuple(return_tuple, (dhdt, False, False), 'tpn')
+        prop = utils.Property.from_return_tuple(return_tuple, (dhdt, None, None), 'tpn')
         return prop.unpack()
 
     def idealentropysingle(self,temp,press,j,dsdt=None,dsdp=None):
@@ -1585,7 +1585,7 @@ def idealentropysingle(self,temp,press,j,dsdt=None,dsdp=None):
         if not dsdp is None:
             return_tuple += (dsdp_c[0], )
 
-        prop = utils.Property.from_return_tuple(return_tuple, (dsdt, dsdp, False), 'tpn')
+        prop = utils.Property.from_return_tuple(return_tuple, (dsdt, dsdp, None), 'tpn')
         return prop.unpack()
 
     def set_standard_entropy(self, j, s0, reference_pressure="1BAR"):

src/eos.f90

@@ -847,13 +847,12 @@ end subroutine ideal_entropy_single
   !>
   !> \author MH, 2014-01
   !----------------------------------------------------------------------
-  subroutine ideal_enthalpy_single(t,p,j,h,dhdt,dhdp)
+  subroutine ideal_enthalpy_single(t,j,h,dhdt,dhdp)
     use ideal, only: Hideal_apparent, Cpideal_apparent
     use eos_parameters, only: single_eos
     implicit none
     ! Transferred variables
     real, intent(in) :: t                   !< K - Temperature
-    real, intent(in) :: p                   !< Pa - Pressure
     integer, intent(in) :: j                !< Component index
     real, intent(out) :: h                  !< J/mol - Ideal enthalpy
     real, optional, intent(out) :: dhdt     !< J/mol/K - Temperature differential of ideal enthalpy