#!/usr/bin/env python3
# -*- coding: utf-8 -*-
"""
Created on Wed May 25 02:01:19 2022

@author: tanu
"""
# TODO
categorical_cols = ['ss_class', 'wt_prop_water', 'mut_prop_water', 'wt_prop_polarity',
       'mut_prop_polarity', 'wt_calcprop', 'mut_calcprop']

foo['water_prop_change'] = foo['wt_prop_water'] + str('_to_') + foo['mut_prop_water']
foo['water_prop_change'].value_counts()
water_prop_changeD = {
    'hydrophobic_to_neutral'          : ''
    , 'hydrophobic_to_hydrophobic'    : 'no_change'
    , 'neutral_to_neutral'            : 'no_change'
    , 'neutral_to_hydrophobic'        : ''
    , 'hydrophobic_to_hydrophilic'    : ''
    , 'neutral_to_hydrophilic'        : ''
    , 'hydrophilic_to_neutral'        : ''
    , 'hydrophilic_to_hydrophobic'    : ''
    , 'hydrophilic_to_hydrophilic'    : 'no_change'
}

foo['polarity_prop_change'] = foo['wt_prop_polarity'] + str('_to_') + foo['mut_prop_polarity']
foo['polarity_prop_change'].value_counts()
# add a no change category

polarity_prop_changeD = {
    'non-polar_to_non-polar'     : 'no_change'
    , 'non-polar_to_neutral'     : ''  
    , 'neutral_to_non-polar'     : ''  
    , 'neutral_to_neutral'       : ''  
    , 'non-polar_to_basic'       : ''  
    , 'acidic_to_neutral'        : ''  
    , 'basic_to_neutral'         : ''  
    , 'non-polar_to_acidic'      : ''  
    , 'neutral_to_basic'         : ''  
    , 'acidic_to_non-polar'      : ''  
    , 'basic_to_non-polar'       : ''
    , 'neutral_to_acidic'        : ''
    , 'acidic_to_acidic'         : 'no_change'
    , 'basic_to_acidic'          : ''
    , 'basic_to_basic'           : 'no_change'
    , 'acidic_to_basic'          : ''}


foo['calc_prop_change'] = foo['wt_calcprop'] + str('_to_') + foo['mut_calcprop']
foo['calc_prop_change'].value_counts()

calc_prop_changeD = {
        'non-polar_to_non-polar'     : 'no_change'
        , 'non-polar_to_polar'       : ''
        , 'polar_to_non-polar'       : ''
        , 'non-polar_to_pos'         : ''
        , 'neg_to_non-polar'         : ''
        , 'non-polar_to_neg'         : ''
        , 'pos_to_polar'             : ''
        , 'pos_to_non-polar'         : ''
        , 'polar_to_polar'           : 'no_change'
        , 'neg_to_neg'               : 'no_change'
        , 'polar_to_neg'             : ''
        , 'pos_to_neg'               : ''
        , 'pos_to_pos'               : ''
        , 'polar_to_pos'             : ''
        , 'neg_to_polar'             : ''
        , 'neg_to_pos'               : ''
}