pKaTool/pKa_system_file_menu.py
def fit_system_to_curves(self):
        """Given loaded titration curves, attempt to fit the system characteristics
        (intrinsic pKa value and interaction energies) so that we get the best match.
        We map the titration curves to groups (in the system) based on the charges"""
        #
        # Can we fit?
        #
        if not getattr(self,'titration_data',None):
            import tkMessageBox
            tkMessageBox.showwarning('No titration curves loaded',
                                     'Load titration curves first')
            return

        self.fit()
        return
Given loaded titration curves, attempt to fit the system characteristics
        (intrinsic pKa value and interaction energies) so that we get the best match.
        We map the titration curves to groups (in the system) based on the charges
Given loaded titration curves, attempt to fit the system characteristics
(intrinsic pKa value and interaction energies) so that we get the best match.
We map the titration curves to groups (in the system) based on the charges
Given loaded titration curves attempt to fit the system characteristics ( intrinsic pKa value and interaction energies ) so that we get the best match . We map the titration curves to groups ( in the system ) based on the charges
def fit_system_to_curves(self):
         Can we fit?
        if not getattr(self,'titration_data',None):
            import tkMessageBox
            tkMessageBox.showwarning('No titration curves loaded',
                                     'Load titration curves first')
            return
        self.fit()
        return
def fit_system_to_curves ( self ) : if not getattr ( self , 'titration_data' , None ) : import tkMessageBox tkMessageBox . showwarning ( 'No titration curves loaded' , 'Load titration curves first' ) return self . fit ( ) return
Given loaded titration curves, attempt to fit the system characteristics
(intrinsic pKa value and interaction energies) so that we get the best match.
Given loaded titration curves attempt to fit the system characteristics ( intrinsic pKa value and interaction energies ) so that we get the best match .
"""Given loaded titration curves, attempt to fit the system characteristics
        (intrinsic pKa value and interaction energies) so that we get the best match.
        We map the titration curves to groups (in the system) based on the charges""" # # Can we fit? #
self