From 2e149bd5b135f6bee72b498374645e52f341a8be Mon Sep 17 00:00:00 2001
From: Murat Keceli <keceli@gmail.com>
Date: Tue, 12 Dec 2023 00:16:21 -0600
Subject: [PATCH 01/16] Use a base class to test pts

---
 tests/python/unit_tests/test_property_type.py | 33 +++++++++++++++++++
 1 file changed, 33 insertions(+)
 create mode 100644 tests/python/unit_tests/test_property_type.py

diff --git a/tests/python/unit_tests/test_property_type.py b/tests/python/unit_tests/test_property_type.py
new file mode 100644
index 00000000..3d0dc175
--- /dev/null
+++ b/tests/python/unit_tests/test_property_type.py
@@ -0,0 +1,33 @@
+# Copyright 2023 NWChemEx-Project
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+import unittest
+
+class BaseTestPropertyType(unittest.TestCase):
+    def setUp(self):
+        self.pt = None
+        self.input_labels = None
+        self.result_labels = None
+
+    def test_inputs(self):
+        if self.pt:
+            self.assertEqual(len(self.pt.inputs()), len(self.input_labels))
+            for label in self.input_labels:
+                self.assertIn(label, self.pt.inputs())
+    
+    def test_results(self):
+        if self.pt:
+            self.assertEqual(len(self.pt.results()), len(self.result_labels))
+            for label in self.result_labels:
+                self.assertIn(label, self.pt.results())
\ No newline at end of file

From 6a3e1d25ad079f4ca64f12a65020ef23c917a8b9 Mon Sep 17 00:00:00 2001
From: Murat Keceli <keceli@gmail.com>
Date: Tue, 12 Dec 2023 00:18:09 -0600
Subject: [PATCH 02/16] Update energy pt tests

---
 tests/python/unit_tests/energy/test_energy.py | 25 ++++++++-----------
 1 file changed, 11 insertions(+), 14 deletions(-)

diff --git a/tests/python/unit_tests/energy/test_energy.py b/tests/python/unit_tests/energy/test_energy.py
index 09c327cd..f7b620d2 100644
--- a/tests/python/unit_tests/energy/test_energy.py
+++ b/tests/python/unit_tests/energy/test_energy.py
@@ -13,19 +13,16 @@
 # limitations under the License.
 
 import simde
-import pluginplay
-import unittest
+from test_property_type import BaseTestPropertyType
 
-class TestEnergy(unittest.TestCase):
-    def test_energy_pt(self):
-        pt = simde.Energy()
-        self.assertIn('Chemical System', pt.inputs())
-        self.assertIn('Energy', pt.results())
+class TestEnergy(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.Energy()
+        self.input_labels= ['Chemical System']
+        self.result_labels = ['Energy']
 
-    def test_aoenergy_pt(self):
-        pt = simde.AOEnergy()
-        self.assertIn('Chemical System', pt.inputs())
-        self.assertIn('AOs', pt.inputs())
-        self.assertEqual(len(pt.inputs()), 2)
-        self.assertIn('Energy', pt.results())
-        self.assertEqual(len(pt.results()), 1)
+class TestAOEnergy(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.AOEnergy()
+        self.input_labels= ['Chemical System', 'AOs']
+        self.result_labels = ['Energy']
\ No newline at end of file

From b094870777b830d738a41b5fe59ef8be5abcf450 Mon Sep 17 00:00:00 2001
From: Murat Keceli <keceli@gmail.com>
Date: Tue, 12 Dec 2023 00:18:32 -0600
Subject: [PATCH 03/16] Update basis set pt tests

---
 .../python/unit_tests/basis_set/test_basis_set.py  | 14 ++++++--------
 1 file changed, 6 insertions(+), 8 deletions(-)

diff --git a/tests/python/unit_tests/basis_set/test_basis_set.py b/tests/python/unit_tests/basis_set/test_basis_set.py
index 69c8d887..d94d404b 100644
--- a/tests/python/unit_tests/basis_set/test_basis_set.py
+++ b/tests/python/unit_tests/basis_set/test_basis_set.py
@@ -13,12 +13,10 @@
 # limitations under the License.
 
 import simde
-import unittest
+from test_property_type import BaseTestPropertyType
 
-class TestBasisSet(unittest.TestCase):
-    def test_molecular_basis_set_pt(self):
-        pt = simde.MolecularBasisSet()
-        self.assertIn('Molecule', pt.inputs())
-        self.assertEqual(len(pt.inputs()), 1)
-        self.assertIn('Molecular Basis Set', pt.results())
-        self.assertEqual(len(pt.results()), 1)
\ No newline at end of file
+class TestMolecularBasisSet(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.MolecularBasisSet()
+        self.input_labels= ['Molecule']
+        self.result_labels = ['Molecular Basis Set']
\ No newline at end of file

From 028779e328d8bbce24713298075144abb3cb8236 Mon Sep 17 00:00:00 2001
From: Murat Keceli <keceli@gmail.com>
Date: Tue, 12 Dec 2023 00:26:03 -0600
Subject: [PATCH 04/16] Export atomic basis set bindings

---
 src/python/basis_set/export_basis_set.hpp | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/src/python/basis_set/export_basis_set.hpp b/src/python/basis_set/export_basis_set.hpp
index 11f52540..fd530b12 100644
--- a/src/python/basis_set/export_basis_set.hpp
+++ b/src/python/basis_set/export_basis_set.hpp
@@ -17,10 +17,19 @@
 #pragma once
 #include "../export_simde.hpp"
 #include <pluginplay/pluginplay.hpp>
+#include <simde/basis_sets/atomic_basis_set.hpp>
 #include <simde/basis_sets/molecular_basis_set.hpp>
 
 namespace simde {
 
+inline void export_atomic_basis_set_from_z(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(AtomicBasisSetFromZ, m);
+}
+
+inline void export_atomic_basis_set_from_sym(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(AtomicBasisSetFromSym, m);
+}
+
 inline void export_molecular_basis_set(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(MolecularBasisSet, m);
 }

From 9d8f89a111d021f4c54c9ecdd35f58b994d7ef20 Mon Sep 17 00:00:00 2001
From: Murat Keceli <keceli@gmail.com>
Date: Tue, 12 Dec 2023 00:27:09 -0600
Subject: [PATCH 05/16] Export atom pts

---
 src/python/atoms/export_atoms.hpp | 72 +++++++++++++++++++++++++++++++
 1 file changed, 72 insertions(+)
 create mode 100644 src/python/atoms/export_atoms.hpp

diff --git a/src/python/atoms/export_atoms.hpp b/src/python/atoms/export_atoms.hpp
new file mode 100644
index 00000000..94f5a9e5
--- /dev/null
+++ b/src/python/atoms/export_atoms.hpp
@@ -0,0 +1,72 @@
+/*
+ * Copyright 2023 NWChemEx-Project
+ *
+ * Licensed under the Apache License, Version 2.0 (the "License");
+ * you may not use this file except in compliance with the License.
+ * You may obtain a copy of the License at
+ *
+ * http://www.apache.org/licenses/LICENSE-2.0
+ *
+ * Unless required by applicable law or agreed to in writing, software
+ * distributed under the License is distributed on an "AS IS" BASIS,
+ * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+ * See the License for the specific language governing permissions and
+ * limitations under the License.
+ */
+
+#pragma once
+#include "../export_simde.hpp"
+#include <pluginplay/pluginplay.hpp>
+#include <simde/atoms/atoms.hpp>
+
+namespace simde {
+
+inline void export_atomfromz(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(AtomFromZ, m);
+}
+
+inline void export_atomfromsym(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(AtomFromSym, m);
+}
+
+inline void export_atomdenfromz(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(AtomDenFromZ, m);
+}
+
+inline void export_atomdenfromsym(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(AtomDenFromSym, m);
+}
+
+inline void export_elecconfigfromz(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(ElecConfigFromZ, m);
+}
+
+inline void export_elecconfigfromsym(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(ElecConfigFromSym, m);
+}
+
+inline void export_fracconfigfromz(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(FracConfigFromZ, m);
+}
+
+inline void export_fracconfigfromsym(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(FracConfigFromSym, m);
+}
+
+inline void export_fullconfigfromz(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(FullConfigFromZ, m);
+}
+
+inline void export_fullconfigfromsym(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(FullConfigFromSym, m);
+}
+
+inline void export_symbolfromz(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(SymbolFromZ, m);
+}
+
+inline void export_zfromsymbol(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(ZFromSymbol, m);
+}
+
+} // namespace simde

From 97b3f59b0ae699c2f7fde365bc04ae90b4976d7e Mon Sep 17 00:00:00 2001
From: Murat Keceli <keceli@gmail.com>
Date: Tue, 12 Dec 2023 01:00:42 -0600
Subject: [PATCH 06/16] Add density pt bindings

---
 src/python/density/export_density.hpp | 40 +++++++++++++++++++++++++++
 1 file changed, 40 insertions(+)
 create mode 100644 src/python/density/export_density.hpp

diff --git a/src/python/density/export_density.hpp b/src/python/density/export_density.hpp
new file mode 100644
index 00000000..52034409
--- /dev/null
+++ b/src/python/density/export_density.hpp
@@ -0,0 +1,40 @@
+/*
+ * Copyright 2023 NWChemEx-Project
+ *
+ * Licensed under the Apache License, Version 2.0 (the "License");
+ * you may not use this file except in compliance with the License.
+ * You may obtain a copy of the License at
+ *
+ * http://www.apache.org/licenses/LICENSE-2.0
+ *
+ * Unless required by applicable law or agreed to in writing, software
+ * distributed under the License is distributed on an "AS IS" BASIS,
+ * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+ * See the License for the specific language governing permissions and
+ * limitations under the License.
+ */
+
+#pragma once
+#include "../export_simde.hpp"
+#include <pluginplay/pluginplay.hpp>
+#include <simde/density/density.hpp>
+
+namespace simde {
+
+inline void export_scf_density(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(SCFDensity, m);
+}
+
+inline void export_initial_density(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(InitialDensity, m);
+}
+
+inline void export_scf_guess_density(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(SCFGuessDensity, m);
+}
+
+inline void export_scf_density_step(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(SCFDensityStep, m);
+}
+
+} // namespace simde

From f225f2851c1cc51f518d8e9d7c1c9c227112856b Mon Sep 17 00:00:00 2001
From: Murat Keceli <keceli@gmail.com>
Date: Tue, 12 Dec 2023 01:01:38 -0600
Subject: [PATCH 07/16] Add derivative pt bindings

---
 src/python/derivative/export_derivative.hpp | 32 +++++++++++++++++++++
 1 file changed, 32 insertions(+)
 create mode 100644 src/python/derivative/export_derivative.hpp

diff --git a/src/python/derivative/export_derivative.hpp b/src/python/derivative/export_derivative.hpp
new file mode 100644
index 00000000..895ed0ea
--- /dev/null
+++ b/src/python/derivative/export_derivative.hpp
@@ -0,0 +1,32 @@
+/*
+ * Copyright 2023 NWChemEx-Project
+ *
+ * Licensed under the Apache License, Version 2.0 (the "License");
+ * you may not use this file except in compliance with the License.
+ * You may obtain a copy of the License at
+ *
+ * http://www.apache.org/licenses/LICENSE-2.0
+ *
+ * Unless required by applicable law or agreed to in writing, software
+ * distributed under the License is distributed on an "AS IS" BASIS,
+ * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+ * See the License for the specific language governing permissions and
+ * limitations under the License.
+ */
+
+#pragma once
+#include "../export_simde.hpp"
+#include <pluginplay/pluginplay.hpp>
+#include <simde/derivative/derivative.hpp>
+
+namespace simde {
+
+inline void export_aoenergynucleargradient(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(AOEnergyNuclearGradient, m);
+}
+
+inline void export_aoenergynuclearhessian(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(AOEnergyNuclearHessian, m);
+}
+
+} // namespace simde

From 7f3821feb8498312850b724c1a9307782534a5ee Mon Sep 17 00:00:00 2001
From: Murat Keceli <keceli@gmail.com>
Date: Tue, 12 Dec 2023 01:02:32 -0600
Subject: [PATCH 08/16] Add bindings for operator pts

---
 src/python/operators/export_operators.hpp | 32 +++++++++++++++++++++++
 1 file changed, 32 insertions(+)
 create mode 100644 src/python/operators/export_operators.hpp

diff --git a/src/python/operators/export_operators.hpp b/src/python/operators/export_operators.hpp
new file mode 100644
index 00000000..a5ab79c3
--- /dev/null
+++ b/src/python/operators/export_operators.hpp
@@ -0,0 +1,32 @@
+/*
+ * Copyright 2023 NWChemEx-Project
+ *
+ * Licensed under the Apache License, Version 2.0 (the "License");
+ * you may not use this file except in compliance with the License.
+ * You may obtain a copy of the License at
+ *
+ * http://www.apache.org/licenses/LICENSE-2.0
+ *
+ * Unless required by applicable law or agreed to in writing, software
+ * distributed under the License is distributed on an "AS IS" BASIS,
+ * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+ * See the License for the specific language governing permissions and
+ * limitations under the License.
+ */
+
+#pragma once
+#include "../export_simde.hpp"
+#include <pluginplay/pluginplay.hpp>
+#include <simde/operators/operators.hpp>
+
+namespace simde {
+
+inline void export_fock_op(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(FockOp, m);
+}
+
+inline void export_system_hamiltonian(python_module_reference m) {
+    EXPORT_PROPERTY_TYPE(SystemHamiltonian, m);
+}
+
+} // namespace simde

From dc06bddf7320570492f738d9ce570e6910b7ae7a Mon Sep 17 00:00:00 2001
From: Murat Keceli <keceli@gmail.com>
Date: Tue, 12 Dec 2023 01:06:46 -0600
Subject: [PATCH 09/16] Export added bindings

---
 src/python/module.cpp | 27 ++++++++++++++++++++++++++-
 1 file changed, 26 insertions(+), 1 deletion(-)

diff --git a/src/python/module.cpp b/src/python/module.cpp
index eaf734f4..05a11c06 100644
--- a/src/python/module.cpp
+++ b/src/python/module.cpp
@@ -14,19 +14,44 @@
  * limitations under the License.
  */
 
+#include "atoms/export_atoms.hpp"
 #include "basis_set/export_basis_set.hpp"
+#include "density/export_density.hpp"
+#include "derivative/export_derivative.hpp"
 #include "energy/export_energy.hpp"
 #include "export_simde.hpp"
+#include "operators/export_operators.hpp"
 
 namespace simde {
 
 PYBIND11_MODULE(simde, m) {
     m.doc() =
       "PySimDE: Python bindings for the Simulation development environment";
-
+    export_atomfromz(m);
+    export_atomfromsym(m);
+    export_atomdenfromz(m);
+    export_atomdenfromsym(m);
+    export_elecconfigfromz(m);
+    export_elecconfigfromsym(m);
+    export_fracconfigfromz(m);
+    export_fracconfigfromsym(m);
+    export_fullconfigfromz(m);
+    export_fullconfigfromsym(m);
+    export_symbolfromz(m);
+    export_zfromsymbol(m);
     export_energy(m);
     export_aoenergy(m);
+    export_aoenergynucleargradient(m);
+    export_aoenergynuclearhessian(m);
+    export_atomic_basis_set_from_z(m);
+    export_atomic_basis_set_from_sym(m);
     export_molecular_basis_set(m);
+    export_scf_density(m);
+    export_initial_density(m);
+    export_scf_guess_density(m);
+    export_scf_density_step(m);
+    export_fock_op(m);
+    export_system_hamiltonian(m);
 }
 
 } // namespace simde

From c018dda0827eff7e004e0923ac264d1dc84e1ad5 Mon Sep 17 00:00:00 2001
From: Murat Keceli <keceli@gmail.com>
Date: Tue, 12 Dec 2023 01:08:11 -0600
Subject: [PATCH 10/16] Add python unit tests

---
 tests/python/unit_tests/atoms/__init__.py     | 13 +++
 tests/python/unit_tests/atoms/test_atoms.py   | 88 +++++++++++++++++++
 .../unit_tests/basis_set/test_basis_set.py    | 12 +++
 tests/python/unit_tests/density/__init__.py   | 13 +++
 tests/python/unit_tests/density/test_atoms.py | 40 +++++++++
 .../python/unit_tests/derivative/__init__.py  | 13 +++
 .../unit_tests/derivative/test_derivative.py  | 37 ++++++++
 tests/python/unit_tests/operators/__init__.py | 13 +++
 .../unit_tests/operators/test_operators.py    | 28 ++++++
 9 files changed, 257 insertions(+)
 create mode 100644 tests/python/unit_tests/atoms/__init__.py
 create mode 100644 tests/python/unit_tests/atoms/test_atoms.py
 create mode 100644 tests/python/unit_tests/density/__init__.py
 create mode 100644 tests/python/unit_tests/density/test_atoms.py
 create mode 100644 tests/python/unit_tests/derivative/__init__.py
 create mode 100644 tests/python/unit_tests/derivative/test_derivative.py
 create mode 100644 tests/python/unit_tests/operators/__init__.py
 create mode 100644 tests/python/unit_tests/operators/test_operators.py

diff --git a/tests/python/unit_tests/atoms/__init__.py b/tests/python/unit_tests/atoms/__init__.py
new file mode 100644
index 00000000..dbacb651
--- /dev/null
+++ b/tests/python/unit_tests/atoms/__init__.py
@@ -0,0 +1,13 @@
+# Copyright 2023 NWChemEx-Project
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
\ No newline at end of file
diff --git a/tests/python/unit_tests/atoms/test_atoms.py b/tests/python/unit_tests/atoms/test_atoms.py
new file mode 100644
index 00000000..0ef09b1a
--- /dev/null
+++ b/tests/python/unit_tests/atoms/test_atoms.py
@@ -0,0 +1,88 @@
+# Copyright 2023 NWChemEx-Project
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+import simde
+from test_property_type import BaseTestPropertyType
+
+class TestAtomFromZ(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.AtomFromZ()
+        self.input_labels = ['Atom ID']
+        self.result_labels = ['Atom']
+
+class TestAtomFromSym(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.AtomFromSym()
+        self.input_labels = ['Atom ID']
+        self.result_labels = ['Atom']
+
+class TestAtomDenFromZ(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.AtomDenFromZ()
+        self.input_labels = ['Atom ID']
+        self.result_labels = ['Atomic Density']
+
+class TestAtomDenFromSym(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.AtomDenFromSym()
+        self.input_labels = ['Atom ID']
+        self.result_labels = ['Atomic Density']
+
+class TestElecConfigFromZ(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.ElecConfigFromZ()
+        self.input_labels = ['Atom ID']
+        self.result_labels = ['Electronic Configuration']
+
+class TestElecConfigFromSym(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.ElecConfigFromSym()
+        self.input_labels = ['Atom ID']
+        self.result_labels = ['Electronic Configuration']
+
+class TestFracConfigFromZ(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.FracConfigFromZ()
+        self.input_labels = ['Atom ID']
+        self.result_labels = ['Electronic Configuration']
+
+class TestFracConfigFromSym(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.FracConfigFromSym()
+        self.input_labels = ['Atom ID']
+        self.result_labels = ['Electronic Configuration']
+
+class TestFullConfigFromZ(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.FullConfigFromZ()
+        self.input_labels = ['Atom ID']
+        self.result_labels = ['Electronic Configuration']
+
+class TestFullConfigFromSym(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.FullConfigFromSym()
+        self.input_labels = ['Atom ID']
+        self.result_labels = ['Electronic Configuration']
+
+class testSymbolFromZ(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.SymbolFromZ()
+        self.input_labels = ['Z']
+        self.result_labels = ['Symbol']
+
+class testZFromSymbol(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.ZFromSymbol()
+        self.input_labels = ['Symbol']
+        self.result_labels = ['Z']
\ No newline at end of file
diff --git a/tests/python/unit_tests/basis_set/test_basis_set.py b/tests/python/unit_tests/basis_set/test_basis_set.py
index d94d404b..69d47b8b 100644
--- a/tests/python/unit_tests/basis_set/test_basis_set.py
+++ b/tests/python/unit_tests/basis_set/test_basis_set.py
@@ -15,6 +15,18 @@
 import simde
 from test_property_type import BaseTestPropertyType
 
+class TestAtomicBasisSetFromZ(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.AtomicBasisSetFromZ()
+        self.input_labels= ['Atom ID']
+        self.result_labels = ['Atomic Basis Set']
+
+class TestAtomicBasisSetFromSym(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.AtomicBasisSetFromSym()
+        self.input_labels= ['Atom ID']
+        self.result_labels = ['Atomic Basis Set']
+
 class TestMolecularBasisSet(BaseTestPropertyType):
     def setUp(self):
         self.pt = simde.MolecularBasisSet()
diff --git a/tests/python/unit_tests/density/__init__.py b/tests/python/unit_tests/density/__init__.py
new file mode 100644
index 00000000..dbacb651
--- /dev/null
+++ b/tests/python/unit_tests/density/__init__.py
@@ -0,0 +1,13 @@
+# Copyright 2023 NWChemEx-Project
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
\ No newline at end of file
diff --git a/tests/python/unit_tests/density/test_atoms.py b/tests/python/unit_tests/density/test_atoms.py
new file mode 100644
index 00000000..a14b74c0
--- /dev/null
+++ b/tests/python/unit_tests/density/test_atoms.py
@@ -0,0 +1,40 @@
+# Copyright 2023 NWChemEx-Project
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+import simde
+from test_property_type import BaseTestPropertyType
+
+class TestSCFDensity(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.SCFDensity()
+        self.input_labels = ['Phi0']
+        self.result_labels = ['Density']
+
+class TestInitialDensity(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.InitialDensity()
+        self.input_labels = ['Hamiltonian']
+        self.result_labels = ['Density']
+
+class TestSCFGuessDensity(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.SCFGuessDensity()
+        self.input_labels = ['Hamiltonian', 'Input Space']
+        self.result_labels = ['Output Density']
+
+class TestSCFDensityStep(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.SCFDensityStep()
+        self.input_labels = ['Hamiltonian', 'Input Space']
+        self.result_labels = ['Output Density']
\ No newline at end of file
diff --git a/tests/python/unit_tests/derivative/__init__.py b/tests/python/unit_tests/derivative/__init__.py
new file mode 100644
index 00000000..dbacb651
--- /dev/null
+++ b/tests/python/unit_tests/derivative/__init__.py
@@ -0,0 +1,13 @@
+# Copyright 2023 NWChemEx-Project
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
\ No newline at end of file
diff --git a/tests/python/unit_tests/derivative/test_derivative.py b/tests/python/unit_tests/derivative/test_derivative.py
new file mode 100644
index 00000000..1f9b920f
--- /dev/null
+++ b/tests/python/unit_tests/derivative/test_derivative.py
@@ -0,0 +1,37 @@
+# Copyright 2023 NWChemEx-Project
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+import simde
+import pluginplay
+import unittest
+
+class TestEnergy(unittest.TestCase):
+    def test_aoenergynucleargradient_pt(self):
+        pt = simde.AOEnergyNuclearGradient()
+        self.assertIn('AOs', pt.inputs())
+        self.assertIn('Chemical System', pt.inputs())
+        self.assertIn('Arg 1', pt.inputs())
+        self.assertEqual(len(pt.inputs()), 3)
+        self.assertIn('Derivative', pt.results())
+        self.assertEqual(len(pt.results()), 1)
+
+    def test_aoenergynuclearhessian_pt(self):
+        pt = simde.AOEnergyNuclearHessian()
+        self.assertIn('AOs', pt.inputs())
+        self.assertIn('Chemical System', pt.inputs())
+        self.assertIn('Arg 1', pt.inputs())
+        self.assertIn('Arg 2', pt.inputs())
+        self.assertEqual(len(pt.inputs()), 4)
+        self.assertIn('Derivative', pt.results())
+        self.assertEqual(len(pt.results()), 1)
diff --git a/tests/python/unit_tests/operators/__init__.py b/tests/python/unit_tests/operators/__init__.py
new file mode 100644
index 00000000..dbacb651
--- /dev/null
+++ b/tests/python/unit_tests/operators/__init__.py
@@ -0,0 +1,13 @@
+# Copyright 2023 NWChemEx-Project
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
\ No newline at end of file
diff --git a/tests/python/unit_tests/operators/test_operators.py b/tests/python/unit_tests/operators/test_operators.py
new file mode 100644
index 00000000..40febc5e
--- /dev/null
+++ b/tests/python/unit_tests/operators/test_operators.py
@@ -0,0 +1,28 @@
+# Copyright 2023 NWChemEx-Project
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+import simde
+from test_property_type import BaseTestPropertyType
+
+class TestFockOp(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.FockOp()
+        self.input_labels= ['Electronic Hamiltonian', 'One Electron Density']
+        self.result_labels = ['Fock operator']
+
+class TestSystemHamiltonian(BaseTestPropertyType):
+    def setUp(self):
+        self.pt = simde.SystemHamiltonian()
+        self.input_labels= ['Chemical System']
+        self.result_labels = ['Hamiltonian']

From 6d8f19633f40ec155f9ae358ab5199ff75772769 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Murat=20Ke=C3=A7eli?= <keceli@gmail.com>
Date: Tue, 12 Dec 2023 14:13:48 -0600
Subject: [PATCH 11/16] merge pt exports

Co-authored-by: Jonathan M. Waldrop <relik107@gmail.com>
---
 src/python/atoms/export_atoms.hpp | 35 +------------------------------
 1 file changed, 1 insertion(+), 34 deletions(-)

diff --git a/src/python/atoms/export_atoms.hpp b/src/python/atoms/export_atoms.hpp
index 94f5a9e5..0033fa92 100644
--- a/src/python/atoms/export_atoms.hpp
+++ b/src/python/atoms/export_atoms.hpp
@@ -21,51 +21,18 @@
 
 namespace simde {
 
-inline void export_atomfromz(python_module_reference m) {
+inline void export_atoms(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(AtomFromZ, m);
-}
-
-inline void export_atomfromsym(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(AtomFromSym, m);
-}
-
-inline void export_atomdenfromz(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(AtomDenFromZ, m);
-}
-
-inline void export_atomdenfromsym(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(AtomDenFromSym, m);
-}
-
-inline void export_elecconfigfromz(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(ElecConfigFromZ, m);
-}
-
-inline void export_elecconfigfromsym(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(ElecConfigFromSym, m);
-}
-
-inline void export_fracconfigfromz(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(FracConfigFromZ, m);
-}
-
-inline void export_fracconfigfromsym(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(FracConfigFromSym, m);
-}
-
-inline void export_fullconfigfromz(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(FullConfigFromZ, m);
-}
-
-inline void export_fullconfigfromsym(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(FullConfigFromSym, m);
-}
-
-inline void export_symbolfromz(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(SymbolFromZ, m);
-}
-
-inline void export_zfromsymbol(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(ZFromSymbol, m);
 }
 

From b450a88974fe80776ae5c754f7acf10ada276ce6 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Murat=20Ke=C3=A7eli?= <keceli@gmail.com>
Date: Tue, 12 Dec 2023 14:14:02 -0600
Subject: [PATCH 12/16] merge pt exports

Co-authored-by: Jonathan M. Waldrop <relik107@gmail.com>
---
 src/python/basis_set/export_basis_set.hpp | 8 +-------
 1 file changed, 1 insertion(+), 7 deletions(-)

diff --git a/src/python/basis_set/export_basis_set.hpp b/src/python/basis_set/export_basis_set.hpp
index fd530b12..5c46eb50 100644
--- a/src/python/basis_set/export_basis_set.hpp
+++ b/src/python/basis_set/export_basis_set.hpp
@@ -22,15 +22,9 @@
 
 namespace simde {
 
-inline void export_atomic_basis_set_from_z(python_module_reference m) {
+inline void export_basis_set(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(AtomicBasisSetFromZ, m);
-}
-
-inline void export_atomic_basis_set_from_sym(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(AtomicBasisSetFromSym, m);
-}
-
-inline void export_molecular_basis_set(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(MolecularBasisSet, m);
 }
 

From 219eeb6152fb774675d11004f6f3b6a282edd6ab Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Murat=20Ke=C3=A7eli?= <keceli@gmail.com>
Date: Tue, 12 Dec 2023 14:14:18 -0600
Subject: [PATCH 13/16] merge pt exports

Co-authored-by: Jonathan M. Waldrop <relik107@gmail.com>
---
 src/python/density/export_density.hpp | 11 +----------
 1 file changed, 1 insertion(+), 10 deletions(-)

diff --git a/src/python/density/export_density.hpp b/src/python/density/export_density.hpp
index 52034409..c44423ca 100644
--- a/src/python/density/export_density.hpp
+++ b/src/python/density/export_density.hpp
@@ -21,19 +21,10 @@
 
 namespace simde {
 
-inline void export_scf_density(python_module_reference m) {
+inline void export_density(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(SCFDensity, m);
-}
-
-inline void export_initial_density(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(InitialDensity, m);
-}
-
-inline void export_scf_guess_density(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(SCFGuessDensity, m);
-}
-
-inline void export_scf_density_step(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(SCFDensityStep, m);
 }
 

From 38267821b54f7386861103ee052a0a55a924a2ba Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Murat=20Ke=C3=A7eli?= <keceli@gmail.com>
Date: Tue, 12 Dec 2023 14:14:29 -0600
Subject: [PATCH 14/16] merge pt exports

Co-authored-by: Jonathan M. Waldrop <relik107@gmail.com>
---
 src/python/operators/export_operators.hpp | 5 +----
 1 file changed, 1 insertion(+), 4 deletions(-)

diff --git a/src/python/operators/export_operators.hpp b/src/python/operators/export_operators.hpp
index a5ab79c3..ff68322a 100644
--- a/src/python/operators/export_operators.hpp
+++ b/src/python/operators/export_operators.hpp
@@ -21,11 +21,8 @@
 
 namespace simde {
 
-inline void export_fock_op(python_module_reference m) {
+inline void export_operators(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(FockOp, m);
-}
-
-inline void export_system_hamiltonian(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(SystemHamiltonian, m);
 }
 

From d5e0e2d962a9bb25b1db01d853d9d2ab561b058f Mon Sep 17 00:00:00 2001
From: Murat Keceli <keceli@gmail.com>
Date: Tue, 12 Dec 2023 14:17:48 -0600
Subject: [PATCH 15/16] Merge pt exports

---
 src/python/derivative/export_derivative.hpp |  5 +---
 src/python/energy/export_energy.hpp         |  3 ---
 src/python/module.cpp                       | 29 ++++-----------------
 3 files changed, 6 insertions(+), 31 deletions(-)

diff --git a/src/python/derivative/export_derivative.hpp b/src/python/derivative/export_derivative.hpp
index 895ed0ea..6404a78a 100644
--- a/src/python/derivative/export_derivative.hpp
+++ b/src/python/derivative/export_derivative.hpp
@@ -21,11 +21,8 @@
 
 namespace simde {
 
-inline void export_aoenergynucleargradient(python_module_reference m) {
+inline void export_derivative(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(AOEnergyNuclearGradient, m);
-}
-
-inline void export_aoenergynuclearhessian(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(AOEnergyNuclearHessian, m);
 }
 
diff --git a/src/python/energy/export_energy.hpp b/src/python/energy/export_energy.hpp
index d8d42c1d..757e207b 100644
--- a/src/python/energy/export_energy.hpp
+++ b/src/python/energy/export_energy.hpp
@@ -23,9 +23,6 @@ namespace simde {
 
 inline void export_energy(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(Energy, m);
-}
-
-inline void export_aoenergy(python_module_reference m) {
     EXPORT_PROPERTY_TYPE(AOEnergy, m);
 }
 
diff --git a/src/python/module.cpp b/src/python/module.cpp
index 05a11c06..fe15744b 100644
--- a/src/python/module.cpp
+++ b/src/python/module.cpp
@@ -27,31 +27,12 @@ namespace simde {
 PYBIND11_MODULE(simde, m) {
     m.doc() =
       "PySimDE: Python bindings for the Simulation development environment";
-    export_atomfromz(m);
-    export_atomfromsym(m);
-    export_atomdenfromz(m);
-    export_atomdenfromsym(m);
-    export_elecconfigfromz(m);
-    export_elecconfigfromsym(m);
-    export_fracconfigfromz(m);
-    export_fracconfigfromsym(m);
-    export_fullconfigfromz(m);
-    export_fullconfigfromsym(m);
-    export_symbolfromz(m);
-    export_zfromsymbol(m);
+    export_atoms(m);
+    export_basis_set(m);
+    export_density(m);
+    export_derivative(m);
     export_energy(m);
-    export_aoenergy(m);
-    export_aoenergynucleargradient(m);
-    export_aoenergynuclearhessian(m);
-    export_atomic_basis_set_from_z(m);
-    export_atomic_basis_set_from_sym(m);
-    export_molecular_basis_set(m);
-    export_scf_density(m);
-    export_initial_density(m);
-    export_scf_guess_density(m);
-    export_scf_density_step(m);
-    export_fock_op(m);
-    export_system_hamiltonian(m);
+    export_operators(m);
 }
 
 } // namespace simde

From ae0cfdf3cd995405c2f423f88344ec9f8a1a0160 Mon Sep 17 00:00:00 2001
From: Murat Keceli <keceli@gmail.com>
Date: Tue, 12 Dec 2023 15:13:48 -0600
Subject: [PATCH 16/16] Use base class for testing

---
 .../unit_tests/derivative/test_derivative.py  | 28 +++++++------------
 1 file changed, 10 insertions(+), 18 deletions(-)

diff --git a/tests/python/unit_tests/derivative/test_derivative.py b/tests/python/unit_tests/derivative/test_derivative.py
index 1f9b920f..edde00d3 100644
--- a/tests/python/unit_tests/derivative/test_derivative.py
+++ b/tests/python/unit_tests/derivative/test_derivative.py
@@ -16,22 +16,14 @@
 import pluginplay
 import unittest
 
-class TestEnergy(unittest.TestCase):
-    def test_aoenergynucleargradient_pt(self):
-        pt = simde.AOEnergyNuclearGradient()
-        self.assertIn('AOs', pt.inputs())
-        self.assertIn('Chemical System', pt.inputs())
-        self.assertIn('Arg 1', pt.inputs())
-        self.assertEqual(len(pt.inputs()), 3)
-        self.assertIn('Derivative', pt.results())
-        self.assertEqual(len(pt.results()), 1)
+class TestAOEnergyNuclearGradient(unittest.TestCase):
+    def setUp(self):
+        self.pt = simde.AOEnergyNuclearGradient()
+        self.input_labels = ['AOs', 'Chemical System', 'Arg 1']
+        self.return_labels = ['Derivative']
 
-    def test_aoenergynuclearhessian_pt(self):
-        pt = simde.AOEnergyNuclearHessian()
-        self.assertIn('AOs', pt.inputs())
-        self.assertIn('Chemical System', pt.inputs())
-        self.assertIn('Arg 1', pt.inputs())
-        self.assertIn('Arg 2', pt.inputs())
-        self.assertEqual(len(pt.inputs()), 4)
-        self.assertIn('Derivative', pt.results())
-        self.assertEqual(len(pt.results()), 1)
+class TestAOEnergyNuclearHessian(unittest.TestCase):
+    def setUp(self):
+        self.pt = simde.AOEnergyNuclearHessian()
+        self.input_labels = ['AOs', 'Chemical System', 'Arg 1', 'Arg 2']
+        self.return_labels = ['Derivative']