ipqa-research · SalvadorBrandolin · Jan 6, 2025 · Nov 25, 2024 · Nov 25, 2024 · Nov 26, 2024
diff --git a/README.md b/README.md
@@ -39,8 +39,9 @@ libraries:
 
 
 # Example of use
-You can check the full tutorial
-[here](https://ipqa-research.github.io/ugropy/tutorial/tutorial.html).
+Here is a little taste of `ugropy`, please, check the full tutorial
+[here](https://ipqa-research.github.io/ugropy/tutorial/tutorial.html) to see
+all it has to offer!
 
 Get groups from the molecule's name:
 
@@ -54,11 +55,13 @@ hexane = Groups("hexane")
 print(hexane.unifac.subgroups)
 print(hexane.psrk.subgroups)
 print(hexane.joback.subgroups)
+print(hexane.agani.primary.subgroups)
 ```
 
     {'CH3': 2, 'CH2': 4}
     {'CH3': 2, 'CH2': 4}
     {'-CH3': 2, '-CH2-': 4}
+    {'CH3': 2, 'CH2': 4}
 
 Get groups from molecule's SMILES:
 
@@ -68,13 +71,15 @@ propanol = Groups("CCCO", "smiles")
 print(propanol.unifac.subgroups)
 print(propanol.psrk.subgroups)
 print(propanol.joback.subgroups)
+print(propanol.agani.primary.subgroups)
 ```
 
     {'CH3': 1, 'CH2': 2, 'OH': 1}
     {'CH3': 1, 'CH2': 2, 'OH': 1}
     {'-CH3': 1, '-CH2-': 2, '-OH (alcohol)': 1}
+    {'CH3': 1, 'CH2': 2, 'OH': 1}
 
-Estimate properties with the Joback model!
+Estimate properties with the Joback and Abdulelah-Gani models!
 
 ```python
 limonene = Groups("limonene")
@@ -85,9 +90,23 @@ print(f"{limonene.joback.vapor_pressure(176 + 273.15)} bar")
 ```
 
     {'-CH3': 2, '=CH2': 1, '=C<': 1, 'ring-CH2-': 3, 'ring>CH-': 1, 'ring=CH-': 1, 'ring=C<': 1}
-    657.4486692170663 K
+    657.4486692170663 kelvin
     1.0254019428522743 bar
 
+```python
+print(limonene.agani.primary.subgroups)
+print(limonene.agani.secondary.subgroups)
+print(limonene.agani.tertiary.subgroups)
+print(f"{limonene.agani.critical_temperature}")
+print(limonene.agani.molecular_weight / limonene.agani.liquid_molar_volume)
+```
+
+    {'CH3': 2, 'CH2=C': 1, 'CH2 (cyclic)': 3, 'CH (cyclic)': 1, 'CH=C (cyclic)': 1}
+    {'CH3-CHm=CHn (m,n in 0..2)': 1, '(CHn=C)cyc-CH3 (n in 0..2)': 1, 'CHcyc-C=CHn (n in 1..2)': 1}
+    {}
+    640.1457030826214 kelvin
+    834.8700605718585 gram / liter
+
 Visualize your results! (The next code creates the `ugropy` logo)
 
 ```Python

diff --git a/docs/source/core/frag_classes/abdulelah_gani/abdulelah_gani.rst b/docs/source/core/frag_classes/abdulelah_gani/abdulelah_gani.rst
@@ -0,0 +1,7 @@
+Abdulelah-Gani Class
+====================
+
+.. automodule:: ugropy.core.frag_classes.abdulelah_gani.abdulelah_gani
+    :members:
+    :undoc-members:
+    :show-inheritance:
diff --git a/docs/source/core/frag_classes/abdulelah_gani/abdulelah_gani_pst.rst b/docs/source/core/frag_classes/abdulelah_gani/abdulelah_gani_pst.rst
@@ -0,0 +1,7 @@
+Abdulelah-Gani PST Class
+========================
+
+.. automodule:: ugropy.core.frag_classes.abdulelah_gani.abdulelah_gani_pst
+    :members:
+    :undoc-members:
+    :show-inheritance:
diff --git a/docs/source/core/frag_classes/abdulelah_gani/abdulelah_gani_pst_result.rst b/docs/source/core/frag_classes/abdulelah_gani/abdulelah_gani_pst_result.rst
@@ -0,0 +1,7 @@
+Abdulelah-Gani PST Result
+=========================
+
+.. automodule:: ugropy.core.frag_classes.abdulelah_gani.abdulelah_gani_pst_result
+    :members:
+    :undoc-members:
+    :show-inheritance:
diff --git a/docs/source/core/frag_classes/abdulelah_gani/abdulelah_gani_result.rst b/docs/source/core/frag_classes/abdulelah_gani/abdulelah_gani_result.rst
@@ -0,0 +1,7 @@
+Abdulelah-Gani Result Class
+===========================
+
+.. automodule:: ugropy.core.frag_classes.abdulelah_gani.abdulelah_gani_result
+    :members:
+    :undoc-members:
+    :show-inheritance:
diff --git a/docs/source/core/frag_classes/abdulelah_gani/init.rst b/docs/source/core/frag_classes/abdulelah_gani/init.rst
@@ -0,0 +1,15 @@
+Abdulelah-Gani fragmentation Classes
+====================================
+
+.. automodule:: ugropy.core.frag_classes.abdulelah_gani
+    :members:
+    :undoc-members:
+    :show-inheritance:
+
+.. toctree::
+   :maxdepth: 1
+
+   abdulelah_gani_pst_result
+   abdulelah_gani_pst
+   abdulelah_gani_result
+   abdulelah_gani
diff --git a/docs/source/core/frag_classes/init.rst b/docs/source/core/frag_classes/init.rst
@@ -12,3 +12,4 @@ Fragmentation Classes
    base/init
    gibbs_model/init
    joback_model/init
+   abdulelah_gani/init
diff --git a/docs/source/models/abdulelah_gani_mod.rst b/docs/source/models/abdulelah_gani_mod.rst
@@ -0,0 +1,7 @@
+Abdulelah-Gani Model
+====================
+
+.. automodule:: ugropy.models.abdulelah_gani_mod
+    :members:
+    :undoc-members:
+    :show-inheritance:
diff --git a/docs/source/models/abdulelah_gani_pmod.rst b/docs/source/models/abdulelah_gani_pmod.rst
@@ -0,0 +1,7 @@
+Abdulelah-Gani Primary Model
+============================
+
+.. automodule:: ugropy.models.abdulelah_gani_pmod
+    :members:
+    :undoc-members:
+    :show-inheritance:
diff --git a/docs/source/models/abdulelah_gani_smod.rst b/docs/source/models/abdulelah_gani_smod.rst
@@ -0,0 +1,7 @@
+Abdulelah-Gani Secondary Model
+==============================
+
+.. automodule:: ugropy.models.abdulelah_gani_smod
+    :members:
+    :undoc-members:
+    :show-inheritance:
diff --git a/docs/source/models/abdulelah_gani_tmod.rst b/docs/source/models/abdulelah_gani_tmod.rst
@@ -0,0 +1,7 @@
+Abdulelah-Gani Tertiary Model
+=============================
+
+.. automodule:: ugropy.models.abdulelah_gani_tmod
+    :members:
+    :undoc-members:
+    :show-inheritance:
diff --git a/docs/source/models/init.rst b/docs/source/models/init.rst
@@ -9,6 +9,10 @@ Models
 .. toctree::
    :maxdepth: 1
 
+   abdulelah_gani_mod
+   abdulelah_gani_pmod
+   abdulelah_gani_smod
+   abdulelah_gani_tmod
    jobackmod
    psrkmod
    unifacmod
diff --git a/docs/source/refs.bib b/docs/source/refs.bib
@@ -1,3 +1,20 @@
+@article{gani,
+	title = {Next generation pure component property estimation models: {With} and without machine learning techniques},
+	volume = {68},
+	issn = {0001-1541, 1547-5905},
+	shorttitle = {Next generation pure component property estimation models},
+	url = {https://aiche.onlinelibrary.wiley.com/doi/10.1002/aic.17469},
+	doi = {10.1002/aic.17469},
+	language = {en},
+	number = {6},
+	urldate = {2023-10-24},
+	journal = {AIChE Journal},
+	author = {Alshehri, Abdulelah S. and Tula, Anjan K. and You, Fengqi and Gani, Rafiqul},
+	month = jun,
+	year = {2022},
+	pages = {e17469},
+}
+
 @misc{ddbst,
 	author = {},
 	title = {{P}ublished {P}arameters {U}{N}{I}{F}{A}{C} - {D}{D}{B}{S}{T} {G}mb{H} --- ddbst.com},

diff --git a/docs/source/tutorial/database/critical.csv b/docs/source/tutorial/database/critical.csv
@@ -1,6 +1,6 @@
 Clapeyron Database File,,,,,
 Critical Single Parameters,,,,,
 species,CAS,Tc,Pc,Vc,acentricfactor
-limonene,,657.4486692170663,2755561.066677689,0.0004965,0.3219127551737521
-adrenaline,,953.7486693594541,5569169.079973267,0.0004115,1.6071531017924205
-Trinitrotoluene,,1146.7095578060987,4067315.701790919,0.0005654999999999999,1.0796561474496789
+limonene,,657.4486692170663,2755561.066677689,0.0004965000000000001,0.3219127551737521
+adrenaline,,953.7486693594541,5569169.079973267,0.0004115000000000001,1.6071531017924205
+Trinitrotoluene,,1146.7095578060987,4067315.701790919,0.0005655000000000001,1.0796561474496789