def apply_on_string(self, string, values_to_set=None):
if values_to_set is not None:
self.values = values_to_set
for i in range(len(self.positions)):
string = dihedral_set(string, self.positions[i], self.values[i])
return string
def apply_on_string(self, string, values_to_set=None):
if values_to_set is not None:
self.values = values_to_set
for i in range(len(self.positions)):
string = dihedral_set(string, self.positions[i], self.values[i])
return string
def apply_on_string(self, string, values_to_set=None):
"""Adjust the sdf string to match the values of the Torsion object.
Args(required):
sdf_string
Args(optional):
values_to_set (list) : a list of values to be set can be passed
directly
"""
if values_to_set is not None:
self.values = values_to_set
for i in range(len(self.positions)):
string = dihedral_set(string, self.positions[i], self.values[i])
return string
def apply_on_string(self, string, values_to_set=None):
"""Adjust the sdf string to match the values of the Torsion object.
Args(required):
sdf_string
Args(optional):
values_to_set (list) : a list of values to be set can be passed
directly
"""
if values_to_set is not None:
self.values = values_to_set
for i in range(len(self.positions)):
string = dihedral_set(string, self.positions[i], self.values[i])
return string
