update readme and how to guides

Author: sreekanth221998

README.md

@@ -75,33 +75,13 @@ from polymetrix.featurizers.sidechain_backbone_featurizer import FullPolymerFeat
 from polymetrix.comparator import PolymerMoleculeComparator
 
 # initialize with required featurizers
+polymer_featurizer = FullPolymerFeaturizer(MolecularWeight())
+molecule_featurizer = FullMolecularFeaturizer(MolecularWeight())
+
 polymer = Polymer.from_psmiles('*CCCCCCNC(=O)c1ccc(C(=O)N*)c(Sc2ccccc2)c1')
 molecule = Molecule.from_smiles('CC(=O)OC1=CC=CC=C1C(=O)O')
 
-polymer_featurizers = [
-    FullPolymerFeaturizer(MolecularWeight()),
-    FullPolymerFeaturizer(NumHBondDonors()),
-    FullPolymerFeaturizer(NumHBondAcceptors()),
-    FullPolymerFeaturizer(NumRotatableBonds())
-]
-
-molecule_featurizers = [
-    FullMolecularFeaturizer(MolecularWeight()),
-    FullMolecularFeaturizer(NumHBondDonors()),
-    FullMolecularFeaturizer(NumHBondAcceptors()),
-    FullMolecularFeaturizer(NumRotatableBonds())
-]
-
-polymer_multi = MultipleFeaturizer(polymer_featurizers)
-molecule_multi = MultipleFeaturizer(molecule_featurizers)
-
-comparator = PolymerMoleculeComparator(
-    polymer_multi,
-    molecule_multi,
-    comparisons=["absolute_difference", "signed_difference", "product", "squared_distance", "euclidean_distance"],
-    agg=["mean", "max", "min", "sum"]
-)
-
+comparator = PolymerMoleculeComparator(polymer_featurizer, molecule_featurizer)
 difference = comparator.compare(polymer, molecule)
 ```
 

docs/how_to_guides.md

@@ -178,7 +178,12 @@ molecule = Molecule.from_smiles('CC(=O)OC1=CC=CC=C1C(=O)O')
 polymer_featurizer = MultipleFeaturizer(polymer_featurizers) # (1)
 molecule_featurizer = MultipleFeaturizer(molecule_featurizers) # (2)
 
-comparator = PolymerMoleculeComparator(polymer_featurizer, molecule_featurizer) # (3)
+comparator = PolymerMoleculeComparator(
+    polymer_multi,
+    molecule_multi,
+    comparisons=["absolute_difference", "signed_difference", "product", "squared_distance", "euclidean_distance"],
+    agg=["mean", "max", "min", "sum"]
+) # (3)
 difference = comparator.compare(polymer, molecule) # (4)
 ```