AmberEvaluation() (defined in AmberEvaluation) | AmberEvaluation | |
AmberEvaluation(AmberFF &ff) (defined in AmberEvaluation) | AmberEvaluation | |
AmberEvaluation(AmberFF &ff, Options &option) (defined in AmberEvaluation) | AmberEvaluation | |
delete_force_field_ (defined in ForceFieldEvaluation) | ForceFieldEvaluation | [protected] |
EnergeticEvaluation() (defined in EnergeticEvaluation) | EnergeticEvaluation | |
ff_ (defined in ForceFieldEvaluation) | ForceFieldEvaluation | [protected] |
ForceFieldEvaluation() | ForceFieldEvaluation | |
ForceFieldEvaluation(ForceField &ff) (defined in ForceFieldEvaluation) | ForceFieldEvaluation | |
getForceField() (defined in AmberEvaluation) | AmberEvaluation | |
getForceField() const (defined in AmberEvaluation) | AmberEvaluation | |
getOptions() (defined in AmberEvaluation) | AmberEvaluation | |
getOptions() const (defined in AmberEvaluation) | AmberEvaluation | |
operator()(ConformationSet &conformations) | ForceFieldEvaluation | [virtual] |
options_ (defined in ForceFieldEvaluation) | ForceFieldEvaluation | [protected] |
setForceField(ForceField &ff) | AmberEvaluation | |
setOptions(const Options &options) (defined in AmberEvaluation) | AmberEvaluation | |
~AmberEvaluation() (defined in AmberEvaluation) | AmberEvaluation | [virtual] |
~EnergeticEvaluation() (defined in EnergeticEvaluation) | EnergeticEvaluation | [virtual] |
~ForceFieldEvaluation() (defined in ForceFieldEvaluation) | ForceFieldEvaluation | [virtual] |