diff --git a/pyext/src/restraints/AVNetworkRestraint.py b/pyext/src/restraints/AVNetworkRestraint.py index 1aea765..f6a1902 100644 --- a/pyext/src/restraints/AVNetworkRestraint.py +++ b/pyext/src/restraints/AVNetworkRestraint.py @@ -178,6 +178,15 @@ def evaluate(self): """Evaluate the score of the restraint.""" return self.rs.unprotected_evaluate(None) * self.weight + def get_output(self): + self.mdl.update() + output = {} + score = self.weight * self.rs.unprotected_evaluate(None) + output["_TotalScore"] = str(score) + output["AVNetworkRestraint_" + + self.label] = str(score) + return output + def add_to_model(self, add_to_rmf=True): IMP.pmi.tools.add_restraint_to_model(self.mdl, self.rs, add_to_rmf=add_to_rmf)