pKaTool/pKa_calc.py
def make_matrix_linear(self):
        """Change the matrix to linear form - this makes it easy to pass it to the C++ code
        In the mult form self.intene is called self.intene_mult, and each self.intene_mult[group1][group2] entry
        consists of a list that defines the interaction energies for each of the possible states of
        group1 and group2 with each other"""
        linear=[]
        residues=self.intene_mult.keys()
        residues.sort()
        for group1 in residues:
            for group2 in residues:
                for grp1_state in self.intene_mult[group1][group2]:
                    for intene in grp1_state:
                        linear.append(intene)
        return linear
Change the matrix to linear form - this makes it easy to pass it to the C++ code
        In the mult form self.intene is called self.intene_mult, and each self.intene_mult[group1][group2] entry
        consists of a list that defines the interaction energies for each of the possible states of
        group1 and group2 with each other
Change the matrix to linear form - this makes it easy to pass it to the C++ code
In the mult form self.intene is called self.intene_mult, and each self.intene_mult[group1][group2] entry
consists of a list that defines the interaction energies for each of the possible states of
group1 and group2 with each other
Change the matrix to linear form - this makes it easy to pass it to the C ++ code In the mult form self . intene is called self . intene_mult and each self . intene_mult [ group1 ] [ group2 ] entry consists of a list that defines the interaction energies for each of the possible states of group1 and group2 with each other
def make_matrix_linear(self):
        linear=[]
        residues=self.intene_mult.keys()
        residues.sort()
        for group1 in residues:
            for group2 in residues:
                for grp1_state in self.intene_mult[group1][group2]:
                    for intene in grp1_state:
                        linear.append(intene)
        return linear
def make_matrix_linear ( self ) : linear = [ ] residues = self . intene_mult . keys ( ) residues . sort ( ) for group1 in residues : for group2 in residues : for grp1_state in self . intene_mult [ group1 ] [ group2 ] : for intene in grp1_state : linear . append ( intene ) return linear
Change the matrix to linear form - this makes it easy to pass it to the C++ code
In the mult form self.intene is called self.intene_mult, and each self.intene_mult[group1][group2] entry
consists of a list that defines the interaction energies for each of the possible states of
group1 and group2 with each other
Change the matrix to linear form - this makes it easy to pass it to the C ++ code In the mult form self . intene is called self . intene_mult and each self . intene_mult [ group1 ] [ group2 ] entry consists of a list that defines the interaction energies for each of the possible states of group1 and group2 with each other
"""Change the matrix to linear form - this makes it easy to pass it to the C++ code
        In the mult form self.intene is called self.intene_mult, and each self.intene_mult[group1][group2] entry
        consists of a list that defines the interaction energies for each of the possible states of
        group1 and group2 with each other"""
self