pKa/pKa_MC.py
def remove_interactions_with(self,groups=[]):
        """Remove all interactions with the groups"""
        for group1 in self.MC.matrix.keys():
            for group2 in self.MC.matrix[group1].keys():
                if group1 in groups or group2 in groups:
                    self.MC.matrix[group1][group2]=[0.0,0.0,0.0,0.0]
        return
Remove all interactions with the groups
Remove all interactions with the groups
Remove all interactions with the groups
def remove_interactions_with(self,groups=[]):
        for group1 in self.MC.matrix.keys():
            for group2 in self.MC.matrix[group1].keys():
                if group1 in groups or group2 in groups:
                    self.MC.matrix[group1][group2]=[0.0,0.0,0.0,0.0]
        return
def remove_interactions_with ( self , groups = [ ] ) : for group1 in self . MC . matrix . keys ( ) : for group2 in self . MC . matrix [ group1 ] . keys ( ) : if group1 in groups or group2 in groups : self . MC . matrix [ group1 ] [ group2 ] = [ 0.0 , 0.0 , 0.0 , 0.0 ] return
Remove all interactions with the groups
Remove all interactions with the groups
"""Remove all interactions with the groups"""
self
groups