예제 #1
0
    def update_values(self, string):
        """Measure and update the Torsion object values.

        Args:
            sdf_string
        """
        updated_values = []
        for i in range(len(self.positions)):
            updated_values.append(dihedral_measure(string, self.positions[i]))
        self.values = updated_values
예제 #2
0
    def update_values(self, string):
        """Measure and update the Torsion object values.

        Args:
            sdf_string
        """
        updated_values = []
        for i in range(len(self.positions)):
            updated_values.append(dihedral_measure(string, self.positions[i]))
        self.values = updated_values
예제 #3
0
 def update_values(self, string):
     updated_values = []
     for i in range(len(self.positions)):
         updated_values.append(dihedral_measure(string, self.positions[i]))
     self.values = updated_values
예제 #4
0
 def update_values(self, string):
     updated_values = []
     for i in range(len(self.positions)):
         updated_values.append(dihedral_measure(string, self.positions[i]))
     self.values = updated_values