BALL  1.4.79
BALL::MolecularInteractions Member List

This is the complete list of members for BALL::MolecularInteractions, including all inherited members.

addInteraction(const Atom *atom, String interaction_type, double energy)BALL::MolecularInteractions
addInteraction(String interaction_type, double energy)BALL::MolecularInteractions
clear()BALL::MolecularInteractions
getInteractionEnergy(const Atom *atom, String interaction_type) constBALL::MolecularInteractions
getInteractionEnergy(const Atom *atom, const list< String > &interaction_types) constBALL::MolecularInteractions
getInteractionEnergy(String interaction_type) constBALL::MolecularInteractions
getInteractionEnergy(const std::list< String > &interaction_types) constBALL::MolecularInteractions
getInteractionEnergy() constBALL::MolecularInteractions
getInteractions(String interaction_type) constBALL::MolecularInteractions
getInteractions(const std::list< String > &interaction_types, std::map< const Atom *, double > &interactions) constBALL::MolecularInteractions
hasInteraction(const Atom *atom, String interaction_type) constBALL::MolecularInteractions
MolecularInteractions()BALL::MolecularInteractions
SAVE_ONLY_SUMSBALL::MolecularInteractionsstatic
setThreshold(double threshold)BALL::MolecularInteractions