def get_residue_interaction_energy(residue1, residue2):
"""
Returns to total energy of every atom pair between the two residues.
Uses Optimize.getPairEnergy and it's donor/accepter model
to determine energy.
residue1 - "donor" residue
residue2 - "acceptor" residue
THE RESULTS OF THIS FUNCTION ARE NOT SYMMETRIC. Swapping
residue1 and residue2 will not always produce the same result.
"""
energy = 0.0
for pair in product(residue1.getAtoms(), residue2.getAtoms()):
energy += Optimize.getPairEnergy(pair[0], pair[1])
return energy
def get_residue_interaction_energy(residue1, residue2):
"""
Returns to total energy of every atom pair between the two residues.
Uses Optimize.getPairEnergy and it's donor/accepter model
to determine energy.
residue1 - "donor" residue
residue2 - "acceptor" residue
THE RESULTS OF THIS FUNCTION ARE NOT SYMMETRIC. Swapping
residue1 and residue2 will not always produce the same result.
"""
energy = 0.0
for pair in product(residue1.getAtoms(), residue2.getAtoms()):
energy += Optimize.getPairEnergy(pair[0], pair[1])
return energy