pKaTool/pKa_system_help.py
def unpack_configuration(self,s):
        """Given a state of the system in a string, set that state"""
        groups=self.groups.keys()
        groups.sort()
        s=s.split('_')
        s=s[1:]
        count=0
        #
        # Intrinsic pKa values
        #
        for group in groups:
            self.groups[group].intpka.set(float(s[count]))
            count=count+1
            #
            # Interaction energies
            #
            groups2=self.groups[group].intenes.keys()
            groups2.sort()
            for igroup in groups2:
                self.groups[group].intenes[igroup].set(float(s[count]))
                count=count+1
        return
Given a state of the system in a string, set that state
Given a state of the system in a string, set that state
Given a state of the system in a string set that state
def unpack_configuration(self,s):
        groups=self.groups.keys()
        groups.sort()
        s=s.split('_')
        s=s[1:]
        count=0
         Intrinsic pKa values
        for group in groups:
            self.groups[group].intpka.set(float(s[count]))
            count=count+1
             Interaction energies
            groups2=self.groups[group].intenes.keys()
            groups2.sort()
            for igroup in groups2:
                self.groups[group].intenes[igroup].set(float(s[count]))
                count=count+1
        return
def unpack_configuration ( self , s ) : groups = self . groups . keys ( ) groups . sort ( ) s = s . split ( '_' ) s = s [ 1 : ] count = 0 for group in groups : self . groups [ group ] . intpka . set ( float ( s [ count ] ) ) count = count + 1 groups2 = self . groups [ group ] . intenes . keys ( ) groups2 . sort ( ) for igroup in groups2 : self . groups [ group ] . intenes [ igroup ] . set ( float ( s [ count ] ) ) count = count + 1 return
Given a state of the system in a string, set that state
Given a state of the system in a string set that state
"""Given a state of the system in a string, set that state""" # # Intrinsic pKa values # # # Interaction energies #
self
s