Added Performance enhancement drugs

.vscode/settings.json

@@ -0,0 +1,6 @@
+{
+    "[python]": {
+        "editor.defaultFormatter": "ms-python.black-formatter"
+    },
+    "python.formatting.provider": "none"
+}

global_chem/global_chem/__init__.py

@@ -8,6 +8,9 @@
 
 from global_chem.animals.snakes.drugs_from_snake_venom import DrugsFromSnakeVenom
 
+# Alcohol
+from global_chem.alcohol.gin.gin import Gin
+
 # Environment
 
 from global_chem.environment.alternative_jet_fuels import AlternativeJetFuels
@@ -94,6 +97,7 @@
 from global_chem.food.color_additives.fda_list_seven import FDAListSeven
 
 
+
 # Narcotics
 
 from global_chem.narcotics.schedule_one import ScheduleOne
@@ -123,10 +127,25 @@
 
 from global_chem.skin.transdermal_and_dermal_delivery.surfactants import Surfactants
 
+# Spice
+from global_chem.spices.thai.thai_all import ThaiSpices
+from global_chem.spices.thai.flavonoids import ThaiSpicesFlavonoids
+
 # Peptides
 
 from global_chem.peptides.lanthipeptides import LanthiPeptides
 
+# Polymers
+
+from global_chem.materials.polymers.water_based_coatings import WaterBasedCoatings
+from global_chem.materials.polymers.solvent_based_coatings import SolventBasedCoatings
+from global_chem.materials.polymers.thermoplastics import Thermoplastics
+from global_chem.materials.polymers.rubbers import Rubbers
+from global_chem.materials.polymers.natural_fibers import Natural_Fibers
+from global_chem.materials.polymers.fluoropolymers import FluoroPolymers
+from global_chem.materials.polymers.silicones import Silicones
+
+
 # Miscellaneous
 
 from global_chem.miscellaneous.vitamins import Vitamins

global_chem/global_chem/alcohol/gin/gin.py

@@ -0,0 +1,111 @@
+#!/usr/bin/env python3
+#
+# GlobalChem - Gin
+#
+# -----------------------------------
+
+class Gin(object):
+
+    def __init__(self):
+
+        self.name = 'gin'
+
+    @staticmethod
+    def get_smiles():
+
+        '''
+
+        Missing:
+        'verbeneen': 
+        'I-phellandrene'
+        "t-ocimene"
+        "c-rose oxide"
+        "c-sabinene hydrate"
+        "l-4-terpine"
+        "terpenyl acetate"
+        "t-beta-caryophyllene"
+        "sesquiterpene ni"
+        "t-beta-farnesene"
+        "t-muurulol" OR "T-Muurolol"
+        '''
+
+
+
+        smiles = {
+            'alpha-pinene': "CC1=CCC2CC1C2(C)C",
+            'alpha-thujene': "CC1=CCC2(C1C2)C(C)C",
+            'camphene': "CC1(C2CCC(C2)C1=C)C",
+            'beta-pinene': "CC1(C2CCC(=C)C1C2)C",
+            "sabinene": "CC(C)C12CCC(=C)C1C2",
+            'delta-3-carene': 'CC1=CCC2C(C1)C2(C)C',
+            "beta-Myrcene": "CC(=CCCC(=C)C=C)C",
+            "alpha-terpinene": "CC1=CC=C(CC1)C(C)C",
+            "DL-limonene": "CC1=CCC(CC1)C(=C)C",
+            "beta-phellandrene": "CC(C)C1CCC(=C)C=C1",
+            "gamma-terpinene": "CC1=CCC(=CC1)C(C)C",
+            "p-cymene": "CC1=CC=C(C=C1)C(C)C",
+            "alpha-terpinolene": "CC1=CCC(=C(C)C)CC1",
+            "verbenyl ethyl ether": "CCOC1C=C(C2CC1C2(C)C)C",
+            "citronellal": "CC(CCC=C(C)C)CC=O",
+            "campholenal": "CC1=CC[C@H](C1(C)C)CC=O",
+            "camphor": "CC1(C2CCC1(C(=O)C2)C)C",
+            "linalool": "CC(=CCCC(C)(C=C)O)C",
+            "bornyl acetate": "CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C2(C)C)C",
+            "myrtenal": "CC1(C2CC=C(C1C2)C=O)C",
+            "alpha-terpineol": "CC1=CCC(CC1)C(C)(C)O",
+            "neryl acetate": r"CC(=CCC/C(=C\COC(=O)C)/C)C",
+            "geranyl acetate": "CC(=CCC/C(=C/COC(=O)C)/C)C",
+            "cuminal": "CC(C)C1=CC=C(C=C1)C=O",
+            "beta-citronellol": "CC(CCC=C(C)C)CCO",
+            "myrtenol": "CC1(C2CC=C(C1C2)CO)C",
+            "nerol": r"CC(=CCC/C(=C\CO)/C)C",
+            "t-carveol": "CC1=CC[C@H](C[C@@H]1O)C(=C)C",
+            "t-geraniol": r"CC(=CCC/C(=C/CO)/C)C",
+            "alpha-cubebene": "C[C@@H]1CC[C@H]([C@H]2[C@]13[C@@H]2C(=CC3)C)C(C)C",
+            "alpha-copaene": "CC1=CCC2C3C1C2(CCC3C(C)C)C",
+            "beta-cubebene": "C[C@@H]1CC[C@H]([C@H]2[C@]13[C@@H]2C(=C)CC3)C(C)C",
+            "beta-elemene": "CC(=C)[C@@H]1CC[C@@]([C@@H](C1)C(=C)C)(C)C=C",
+            "gamma-elemene": "CC(=C1CC[C@@]([C@@H](C1)C(=C)C)(C)C=C)C",
+            "alpha-humulene": r"C/C/1=C\CC(/C=C/C/C(=C/CC1)/C)(C)C",
+            "gamma-muurolene": "CC1=C[C@@H]2[C@H](CC1)C(=C)CC[C@H]2C(C)C",
+            "germacrene D": r"C/C/1=C\CCC(=C)/C=C/[C@@H](CC1)C(C)C",
+            "alpha-selinene": "CC1=CCC[C@]2([C@H]1C[C@@H](CC2)C(=C)C)C",
+            "alpha-muurolene": "CC1=C[C@@H]2[C@H](CC1)C(=CC[C@H]2C(C)C)C",
+            "delta-cadinene": "CC1=C[C@H]2[C@@H](CCC(=C2CC1)C)C(C)C",
+            "gamma-cadinene": "CC1=C[C@H]2[C@H](CC1)C(=C)CC[C@@H]2C(C)C",
+            "cadina-1,4-diene": "C[C@H]1CCC(C2C1=CCC(=C2)C)C(C)C",
+            "germacrene B": r"C/C/1=C\CC/C(=C/CC(=C(C)C)CC1)/C",
+            "alpha-calacorene": "CC1=CC[C@H](C2=C1C=CC(=C2)C)C(C)C",
+            "caryophyllene oxide": "C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=C)CC[C@H]1O2",
+            "torreyol": "CC1=C[C@H]2[C@@H](CC[C@@]([C@H]2CC1)(C)O)C(C)C",
+            "elemol": "CC(=C)[C@@H]1C[C@@H](CC[C@@]1(C)C=C)C(C)(C)O",
+            "spathulenol": "C[C@@]1(CC[C@@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CCC2=C)O",
+            "t-cadinol": "CC1=C[C@H]2[C@@H](CC[C@]([C@@H]2CC1)(C)O)C(C)C",
+            "eudesmol": "C[C@@H]1CCC[C@]2([C@H]1C[C@@H](CC2)C(C)(C)O)C",
+            "alpha-cadinol": "CC1=C[C@H]2[C@@H](CC[C@@]([C@@H]2CC1)(C)O)C(C)C",
+            "nonanal": "CCCCCCCCC=O",
+            "benzaldehyde": "C1=CC=C(C=C1)C=O",
+            "2-undecanone": "CCCCCCCCCC(=O)C",
+            "z-citral": r"CC(=CCC/C(=C/C=O)/C)C",
+            "Carvone": "CC1=CCC(CC1=O)C(=C)C",
+            "Verbenone": "CC1=CC(=O)C2CC1C2(C)C",
+            "trans-pinocarveol": "CC1([C@@H]2C[C@H]1C(=C)[C@H](C2)O)C",
+            "hexanal": "CCCCCC=O",
+            "heptanal": "CCCCCCC=O",
+            "dehydrosabinene": "CC(C)C12CC1C(=C)C=C2",
+            "limonene": "CC1=CCC(CC1)C(=C)C",
+            "bicycloelemene": "CC(=C)[C@H]1[C@H]2[C@H](C2(C)C)CC[C@@]1(C)C=C",
+
+
+        }
+
+        return smiles
+
+    @staticmethod
+    def get_smarts():
+
+        smarts = {
+
+        }
+
+        return smarts

global_chem/global_chem/global_chem.py

@@ -25,6 +25,9 @@
 
 from global_chem.animals.snakes.drugs_from_snake_venom import DrugsFromSnakeVenom
 
+# Alcohol
+from global_chem.alcohol.gin.gin import Gin
+
 # Environment
 
 from global_chem.environment.alternative_jet_fuels import AlternativeJetFuels
@@ -113,6 +116,7 @@
 
 
 
+
 # Food/Fruits/Mango
 
 
@@ -155,6 +159,11 @@
 
 from global_chem.skin.transdermal_and_dermal_delivery.surfactants import Surfactants
 
+# Spice
+from global_chem.spices.thai.thai_all import ThaiSpices
+from global_chem.spices.thai.flavonoids import ThaiSpicesFlavonoids
+
+
 # Peptides
 
 from global_chem.peptides.lanthipeptides import LanthiPeptides
@@ -166,6 +175,18 @@
 from global_chem.sex.tainted_sexual_enhancements.tainted_sexual_enhancements import TaintedSexualEnhancements
 from global_chem.sex.contraceptives.oral_contraceptives import OralContraceptives
 
+# Sport/ Performance Enhancement / mma_compounds
+from global_chem.sport.performance_enhancement.mma_compounds import MmaCompounds
+
+#Polymers
+from global_chem.materials.polymers.water_based_coatings import WaterBasedCoatings
+from global_chem.materials.polymers.solvent_based_coatings import SolventBasedCoatings
+from global_chem.materials.polymers.thermoplastics import Thermoplastics
+from global_chem.materials.polymers.rubbers import Rubbers
+from global_chem.materials.polymers.natural_fibers import Natural_Fibers
+from global_chem.materials.polymers.fluoropolymers import FluoroPolymers
+from global_chem.materials.polymers.silicones import Silicones
+
 class Node:
 
     '''
@@ -486,13 +507,24 @@ class GlobalChem(object):
         'lanthipeptides': LanthiPeptides,                                                # Prabin Baral & Suliman Sharif
         'alternative_jet_fuels': AlternativeJetFuels,                                    # Suliman Sharif
         'common_regex_patterns': CommonRegexPatterns,                                    # Chris Burke & Suliman Sharif
-        'mango_phytocompounds': Mango,                                                   # Damilola Bodun & Sevien Schulhofff
-        'mango_amino_acids': MangoAminoAcids,                                            # Damilola Bodun & Sevien Schulhofff
-        'mango_phenolic_acids': MangoPhenolicAcids,                                      # Damilola Bodun & Sevien Schulhofff
-        'mango_fatty_acids': MangoFattyAcids,                                            # Damilola Bodun & Sevien Schulhofff
-        'mango_vitamins': MangoVitamins,                                                 # Damilola Bodun & Sevien Schulhofff
-        'mango_flavonoids': MangoFlavonoids                                              # Damilola Bodun & Sevien Schulhofff  
-    }
+        'mango_phytocompounds': Mango,                                                   # Damilola Bodun & Sevien Schulhofff& Suliman Sharif
+        'mango_amino_acids': MangoAminoAcids,                                            # Damilola Bodun & Sevien Schulhofff & Suliman Sharif
+        'mango_phenolic_acids': MangoPhenolicAcids,                                      # Damilola Bodun & Sevien Schulhofff & Suliman Sharif
+        'mango_fatty_acids': MangoFattyAcids,                                            # Damilola Bodun & Sevien Schulhofff & Suliman Sharif
+        'mango_vitamins': MangoVitamins,                                                 # Damilola Bodun & Sevien Schulhofff  & Suliman Sharif
+        'mango_flavonoids': MangoFlavonoids,                                             # Damilola Bodun & Sevien Schulhofff & Suliman Sharif
+        'mma_compounds': MmaCompounds,                                                   # Damilola Bodun & Sevien Schulhoff & Suliman Sharif
+        "water_based_coatings": WaterBasedCoatings,                                      # Vedant Menkudale 
+        "solvent_based_coatings": SolventBasedCoatings,                                  # Vedant Menkudale 
+        "thermoplastics" : Thermoplastics,                                               # Vedant Menkudale
+        "rubbers": Rubbers,                                                              # Vedant Menkudale
+        "natural_fibers" : Natural_Fibers,                                               # Vedant Menkudale
+        'flouropolymers': FluoroPolymers,                                                # Vedant Menkudale
+        "silicones" : Silicones,                                                         # Vedant Menkudale
+        "gin": Gin,                                                                       # Damilola Bodun & Suliman Shariff
+        "thai_spices": ThaiSpices,                                                        #
+        "thai_spices_flavonoids": ThaiSpicesFlavonoids                                  #
+     }
 
     __INCOMPLETE_NODES = {
         # 'named_reactions_in_organic_synthesis': NamedReactionsInOrganicSynthesis # Aziza Frank & Bettina Lier & Suliman Sharif

global_chem/global_chem/materials/polymers/fluoropolymers.py

@@ -0,0 +1,26 @@
+#!/usr/bin/env python3
+#
+# GlobalChem - FluoroPolymers
+#
+# ---------------------------------------
+
+class FluoroPolymers(object):
+
+    def __init__(self):
+
+        self.name = 'fluoropolymers'
+
+    @staticmethod
+    def get_smiles():
+        smiles = {
+          'perfluorocycloalkene': 'C1(=C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)F)C(F)(F)F',
+          'vinyl fluoride': 'C=CF',
+          'vinylidene': 'C=C(F)F',
+          'tetrafluoroethylene': 'C(=C(F)F)(F)F',
+          'chlorotrifluoroethylene': 'C(=C(F)Cl)(F)F',
+          'hexafluoropropylene': 'C(=C(F)F)(C(F)(F)F)F',
+        }
+
+
+        return smiles
+

global_chem/global_chem/materials/polymers/natural_fibers.py

@@ -0,0 +1,32 @@
+#!/usr/bin/env python3
+#
+# GlobalChem - Natural Fibers
+#
+# ---------------------------------------
+
+class Natural_Fibers(object):
+
+    def __init__(self):
+
+        self.name = 'natural_fibers'
+
+    @staticmethod
+    def get_smiles():
+
+        smiles = {
+        'p-coumaric acid': 'C1=CC(=CC=C1C=CC(=O)O)O',
+        'ferulic acid': 'COC1=C(C=CC(=C1)C=CC(=O)O)O',
+        'syringyl alcohol': 'CC(=O)OCC1=CC(=C(C(=C1)OC)OC(=O)C)OC',
+        'gallic acid': 'C1=C(C=C(C(=C1O)O)O)C(=O)O',
+        'cellulose': 'C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O',
+        'beta glucose': 'C(C1C(C(C(C(O1)O)O)O)O)O',
+        'starch': '', # What type of starch
+        'alpha glucose': 'C(C1C(C(C(C(O1)O)O)O)O)O',
+        'hemicellulose': 'CC(C(C1=CC=CC=C1)O)NC.CC(C(C1=CC=CC=C1)O)NC',
+        'arabinose': 'C1C(C(C(C(O1)O)O)O)O',
+        'mannose': 'C(C1C(C(C(C(O1)O)O)O)O)O',
+        'glucose': 'C(C1C(C(C(C(O1)O)O)O)O)O',
+        'xylose': 'C1C(C(C(C(O1)O)O)O)O',        
+        }
+
+        return smiles

global_chem/global_chem/materials/polymers/rubbers.py

@@ -0,0 +1,27 @@
+#!/usr/bin/env python3
+#
+# GlobalChem - Rubbers
+#
+# ---------------------------------------
+
+class Rubbers(object):
+
+    def __init__(self):
+
+        self.name = 'rubber'
+
+    @staticmethod
+    def get_smiles():
+
+        smiles = {
+          '2-chlorobuta-1,3-diene': 'C=CC(=C)Cl',
+          'isoprene': 'CC(=C)C=C',
+          'ethylidene norbornene': 'CC=C1CC2CC1C=C2',
+          'dicyclopentadiene': 'C1C=CC2C1C3CC2C=C3',
+          'vinyl norbornene': 'C=CC1CC2CC1C=C2',
+          'vinylidene fluoride': 'C=C(F)F',
+          'ethylene': 'C=C',
+          'butadiene': 'C=CC=C',
+        }
+
+        return smiles

global_chem/global_chem/materials/polymers/silicones.py

@@ -0,0 +1,22 @@
+#!/usr/bin/env python3
+#
+# GlobalChem - Silicones
+#
+# ---------------------------------------
+
+class Silicones(object):
+
+    def __init__(self):
+
+        self.name = 'silicones'
+
+    @staticmethod
+    def get_smiles():
+        smiles = {
+
+          'octamethylcyclotetrasiloxane': 'C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)',
+        }
+
+
+        return smiles
+

global_chem/global_chem/materials/polymers/solvent_based_coatings.py

@@ -0,0 +1,32 @@
+#!/usr/bin/env python3
+#
+# GlobalChem - Solvent Based Coatings
+#
+# ---------------------------------------
+
+class SolventBasedCoatings(object):
+
+    def __init__(self):
+
+        self.name = 'solvent_based_coatings'
+
+    @staticmethod
+    def get_smiles():
+        smiles = {
+        'phathlic anhydride': 'C1=CC=C2C(=C1)C(=O)OC2=O',
+        'isopthalic acid': 'C1=CC(=CC(=C1)C(=O)O)C(=O)O',
+        'terepthalic acid': 'C1=CC(=CC=C1C(=O)O)C(=O)O',
+        'diethylene glycol': 'C(COCCO)O',
+        'adipic acid': 'C(CCC(=O)O)CC(=O)O',
+        'pentanedioyl dichloride': 'C(CC(=O)Cl)CC(=O)Cl',
+        'benzene-1,4-diol': 'C1=CC(=CC=C1O)O',
+        'ricinoleic acid': 'CCCCCCC(CC=CCCCCCCCC(=O)O)O',
+        'oleic acid': r'CCCCCCCC/C=C\CCCCCCCC(=O)O',
+        'linoleic acid': 'CCCCCC=CCC=CCCCCCCCC(=O)O',
+        'stearic acid': 'CCCCCCCCCCCCCCCCCC(=O)O',
+        'palmitic acid': 'CCCCCCCCCCCCCCCC(=O)O',
+      }
+
+
+        return smiles
+