added household chemicals

global_chem/global_chem/__init__.py

@@ -146,6 +146,15 @@
 from global_chem.miscellaneous.amino_acids import AminoAcids
 from global_chem.miscellaneous.regex_patterns import CommonRegexPatterns
 
+# Household_chemicals
+
+from global_chem.household_chemicals.bleach import Bleach
+from global_chem.household_chemicals.cosmetics import Cosmetics
+from global_chem.household_chemicals.detergents import Detergents
+from global_chem.household_chemicals.disinfectants import Disinfectants
+from global_chem.household_chemicals.organophosphate_flame_retardants import Organophosphate_flame_retardants
+from global_chem.household_chemicals.Surface_cleaners import Surface_cleaners
+
 from global_chem.global_chem import GlobalChem
 
 __all__ = ['GlobalChem']

global_chem/global_chem/global_chem.py

@@ -492,6 +492,7 @@ class GlobalChem(object):
         'mango_vitamins': MangoVitamins,                                                 # Damilola Bodun & Sevien Schulhofff
         'mango_flavonoids': MangoFlavonoids,                                             # Damilola Bodun & Sevien Schulhofff  
         'insect_sex_pheromones': InsectSexPheromones,                                    # Yuqing Liu & Suliman Sharif
+        'household_chemicals' : household_chemicals,                                     # Kalana Kotawalagedara & Anuththara Gamage
     }
 
     __INCOMPLETE_NODES = {

global_chem/global_chem/household_chemicals/bleach.py

@@ -0,0 +1,33 @@
+#!/usr/bin/env python3
+#
+# GlobalChem - Bleach
+#
+# -------------------------------
+
+class Bleach(object):
+
+  def __init__(self):
+
+    self.name = 'bleach'
+
+  @staticmethod
+  def get_smiles():
+
+    smiles = {
+'chlorine' : 'ClCl',
+'sodium hypochlorite' : '[O-]Cl.[Na+]',
+'hydrogen peroxide' : 'OO',
+'potassium permanganate' : '[O-]Mn(=O)=O.[K+]',
+
+    }
+
+    return smiles
+
+  @staticmethod
+  def get_smarts():
+
+    smarts = {
+
+ }
+
+    return smarts

global_chem/global_chem/household_chemicals/cosmetics.py

@@ -0,0 +1,32 @@
+#!/usr/bin/env python3
+#
+# GlobalChem - Cosmetics
+#
+# -------------------------------
+
+class Cosmetics(object):
+
+  def __init__(self):
+
+    self.name = 'cosmetics'
+
+  @staticmethod
+  def get_smiles():
+
+    smiles = {
+'oxybenzone' : 'COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O',
+'hydroquinone' : 'C1=CC(=CC=C1O)O',
+'diethyl phthalate' : 'CCOC(=O)C1=CC=CC=C1C(=O)OCC',
+
+    }
+
+    return smiles
+
+  @staticmethod
+  def get_smarts():
+
+    smarts = {
+
+ }
+
+    return smarts

global_chem/global_chem/household_chemicals/detergents.py

@@ -0,0 +1,36 @@
+#!/usr/bin/env python3
+#
+# GlobalChem - Detergents
+#
+# -------------------------------
+
+class Detergents(object):
+
+  def __init__(self):
+
+    self.name = 'detergents'
+
+  @staticmethod
+  def get_smiles():
+
+    smiles = {
+'diethylene glycol' : 'C(COCCO)O',
+'perchloroethylene' : 'C(=C(Cl)Cl)(Cl)Cl',
+'butyl cellosolve' : 'CCCCOCCO',
+'phosphate edta' : ' C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[O-]P(=O)([O-])[O-] ',
+'ammonium hydroxide' : '[NH4+].[OH-]',
+'diethyl phthalate' : 'CCOC(=O)C1=CC=CC=C1C(=O)OCC',
+'dimethyl phthalate' : 'COC(=O)C1=CC=CC=C1C(=O)OC',
+
+    }
+
+    return smiles
+
+  @staticmethod
+  def get_smarts():
+
+    smarts = {
+
+ }
+
+    return smarts

global_chem/global_chem/household_chemicals/disinfectants.py

@@ -0,0 +1,47 @@
+#!/usr/bin/env python3
+#
+# GlobalChem - Disinfectants
+#
+# -------------------------------
+
+class Disinfectants(object):
+
+  def __init__(self):
+
+    self.name = 'disinfectants'
+
+  @staticmethod
+  def get_smiles():
+
+    smiles = {
+'triclosan' : 'C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl',
+'benzalkonium chloride' : '[Cl-].CCCCCCCCCCCCN+(C)CC1=CC=CC=C1',
+'isopropyl alcohol' : 'CC(C)O',
+'chlorohexidine' : r 'C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl',
+'hydrogen peroxide' : 'OO',
+'potassium chlorate' : '[O-]Cl(=O)=O.[K+]',
+'potassium iodate' : '[O-]I(=O)=O.[K+]',
+'potassium permanganate' : '[O-]Mn(=O)=O.[K+]',
+'phenol' : 'C1=CC=C(C=C1)O',
+'formaldehyde' : 'C=O',
+'boric acid' : 'B(O)(O)O',
+'triclosan' : 'C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl',
+'oligo(2-(2-ethoxy)-ethoxyethyl)guanidinium chloride' : 'Cl.NC(N)=N.NCCOCCOCCN',
+'polyhexamethylene guanidine' : 'Cl.NC(N)=N.NCCCCCCN',
+'hexadecyltrimethylammonium bromide' : ' CCCCCCCCCCCCCCCCN+(C)C.[Br-]',
+'methyltrioctylammonium chloride' : 'CCCCCCCCN+(CCCCCCCC)CCCCCCCC.[Cl-]',
+'methylbenzethonium chloride' : ' CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCCN+(C)CC2=CC=CC=C2.[Cl-]',
+'tributyltetradecylphosphonium chloride' : 'CCCCCCCCCCCCCCP+(CCCC)CCCC.[Cl-]',
+'didecyl dimethyl ammonium chloride' : 'CCCCCCCCCCN+(C)CCCCCCCCCC.[Cl-]',
+    }
+
+    return smiles
+
+  @staticmethod
+  def get_smarts():
+
+    smarts = {
+
+ }
+
+    return smarts

global_chem/global_chem/household_chemicals/organophosphate_flame_retardants.py

@@ -0,0 +1,31 @@
+#!/usr/bin/env python3
+#
+# GlobalChem - Organophosphate_flame_retardants
+#
+# -------------------------------
+
+class Organophosphate_flame_retardants(object):
+
+  def __init__(self):
+
+    self.name = 'organophosphate_flame_retardants'
+
+  @staticmethod
+  def get_smiles():
+
+    smiles = {
+'tris(1,3-dichloro-2-propyl)phosphate' : 'C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl',
+'tris(2,3-dibromopropyl) phosphate' : 'C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br',
+
+    }
+
+    return smiles
+
+  @staticmethod
+  def get_smarts():
+
+    smarts = {
+
+ }
+
+    return smarts

global_chem/global_chem/household_chemicals/surface_cleaners.py

@@ -0,0 +1,34 @@
+#!/usr/bin/env python3
+#
+# GlobalChem - Surface_cleaners
+#
+# -------------------------------
+
+class Surface_cleaners(object):
+
+  def __init__(self):
+
+    self.name = 'surface_cleaners'
+
+  @staticmethod
+  def get_smiles():
+
+    smiles = {
+'sodium hydroxide' : '[OH-].[Na+]',
+'hydrochloric acid' : 'Cl',
+'brass' : ' [Cu].[Zn].[Pb]',
+'chloroxylenol' : 'CC1=CC(=CC(=C1Cl)C)O',
+'1,4- dioxane' : 'C1COCCO1',
+
+    }
+
+    return smiles
+
+  @staticmethod
+  def get_smarts():
+
+    smarts = {
+
+ }
+
+    return smarts