pKaTool/titration_class.py
def sub_HHd_scaled(self, exp_data, pkas):
        """Calculates error with scaling based on deviation of exp data from the Henderson-Hasselbalch eq"""
        diff=0.0
        scales = exp_data.deviation_from_henderson_hasselbalch(pkas)
        for group in self.curves.keys():
            if not exp_data.curves.has_key(group):
                continue
            for ph in self.curves[group].keys():
                if exp_data.curves[group].has_key(ph):
                    diff=diff+ scales[group][ph]*abs(self.curves[group][ph]-exp_data.curves[group][ph])
        return diff
Calculates error with scaling based on deviation of exp data from the Henderson-Hasselbalch eq
Calculates error with scaling based on deviation of exp data from the Henderson-Hasselbalch eq
Calculates error with scaling based on deviation of exp data from the Henderson - Hasselbalch eq
def sub_HHd_scaled(self, exp_data, pkas):
        diff=0.0
        scales = exp_data.deviation_from_henderson_hasselbalch(pkas)
        for group in self.curves.keys():
            if not exp_data.curves.has_key(group):
                continue
            for ph in self.curves[group].keys():
                if exp_data.curves[group].has_key(ph):
                    diff=diff+ scales[group][ph]*abs(self.curves[group][ph]-exp_data.curves[group][ph])
        return diff
def sub_HHd_scaled ( self , exp_data , pkas ) : diff = 0.0 scales = exp_data . deviation_from_henderson_hasselbalch ( pkas ) for group in self . curves . keys ( ) : if not exp_data . curves . has_key ( group ) : continue for ph in self . curves [ group ] . keys ( ) : if exp_data . curves [ group ] . has_key ( ph ) : diff = diff + scales [ group ] [ ph ] * abs ( self . curves [ group ] [ ph ] - exp_data . curves [ group ] [ ph ] ) return diff
Calculates error with scaling based on deviation of exp data from the Henderson-Hasselbalch eq
Calculates error with scaling based on deviation of exp data from the Henderson - Hasselbalch eq
"""Calculates error with scaling based on deviation of exp data from the Henderson-Hasselbalch eq"""
self
exp_data
pkas