Merge e6bf7ca into efb34eb

CalebBell · Nov 12, 2021 · 32e2687 · 32e2687
2 parents efb34eb + e6bf7ca
commit 32e2687
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Showing 8 changed files with 396 additions and 39 deletions.
diff --git a/chemicals/numba.py b/chemicals/numba.py
@@ -43,6 +43,7 @@
      'rachford_rice.Rachford_Rice_polynomial_5',
      'rachford_rice.Rachford_Rice_solution_polynomial',
      'rachford_rice.Rachford_Rice_numpy_err_fprime2',
+     'rachford_rice.Rachford_Rice_solution_Leibovici_Neoschil',
      'rachford_rice.Li_Johns_Ahmadi_solution',
      'rachford_rice._Rachford_Rice_analytical_3',
      'rachford_rice.flash_inner_loop',

diff --git a/chemicals/rachford_rice.py b/chemicals/rachford_rice.py
diff --git a/requirements.txt b/requirements.txt
@@ -1,4 +1,4 @@
 numpy
 scipy
 pandas
-fluids>=1.0.9
+fluids>=1.0.11
diff --git a/requirements_docs.txt b/requirements_docs.txt
@@ -3,7 +3,7 @@ scipy
 numpydoc
 pint
 nbsphinx
-fluids>=1.0.9
+fluids>=1.0.11
 IPython
 ipython
 numba

diff --git a/requirements_test.txt b/requirements_test.txt
@@ -2,7 +2,7 @@ numpy
 scipy
 pandas
 sympy
-fluids>=1.0.9
+fluids>=1.0.11
 pytest
 pytest-cov
 coveralls

diff --git a/setup.py b/setup.py
@@ -45,6 +45,7 @@
     'Programming Language :: Python :: 3.8',
     'Programming Language :: Python :: 3.9',
     'Programming Language :: Python :: 3.10',
+    'Programming Language :: Python :: 3.11',
     'Programming Language :: Python :: Implementation :: CPython',
     'Programming Language :: Python :: Implementation :: PyPy',
     'Topic :: Education',
@@ -61,7 +62,7 @@
   version = '1.0.12',
   description = 'Chemical properties component of Chemical Engineering Design Library (ChEDL)',
   author = 'Caleb Bell',
-  install_requires=['fluids>=1.0.9', 'scipy', 'numpy', 'pandas'],
+  install_requires=['fluids>=1.0.11', 'scipy', 'numpy', 'pandas'],
   extras_require = {
       'Coverage documentation':  ['wsgiref>=0.1.2', 'coverage>=4.0.3']
   },

diff --git a/tests/test_numba.py b/tests/test_numba.py
@@ -467,7 +467,11 @@ def test_rachford_rice():
     assert_close(VF, VF_new)
     assert_close1d(xs, xs_new)
     assert_close1d(ys, ys_new)
-
+    LF_new, VF_new, xs_new, ys_new = chemicals.numba.Rachford_Rice_solution_Leibovici_Neoschil(zs=zs, Ks=Ks)
+    assert_close(VF, VF_new, rtol=1e-14)
+    assert_close1d(xs, xs_new, rtol=1e-14)
+    assert_close1d(ys, ys_new, rtol=1e-14)
+
     zs = [0.1, 0.2, 0.3, 0.4]
     Ks = [1.0161456228504933, 1.001260709063004, 0.9882448742560694, 1.0237689436500155]
     chemicals.numba.rachford_rice.flash_inner_loop(np.array(zs), np.array(Ks), guess=0.8556936118217484)
@@ -487,6 +491,9 @@ def test_rachford_rice():
 # test_rachford_rice()
 
 
+
+
+
 @mark_as_numba
 def test_Rachford_Rice_solutionN():
     ns = [0.204322076984, 0.070970999150, 0.267194323384, 0.296291964579, 0.067046080882, 0.062489248292, 0.031685306730]

diff --git a/tests/test_rachford_rice.py b/tests/test_rachford_rice.py