addEntry(unsigned int tor_type_idx, unsigned int term_atom1_type, unsigned int ctr_atom1_type, unsigned int ctr_atom2_type, unsigned int term_atom2_type, double tor_param1, double tor_param2, double tor_param3) | CDPL::ForceField::MMFF94TorsionParameterTable | |
begin() const | CDPL::ForceField::MMFF94TorsionParameterTable | |
begin() | CDPL::ForceField::MMFF94TorsionParameterTable | |
clear() | CDPL::ForceField::MMFF94TorsionParameterTable | |
ConstEntryIterator typedef | CDPL::ForceField::MMFF94TorsionParameterTable | |
end() const | CDPL::ForceField::MMFF94TorsionParameterTable | |
end() | CDPL::ForceField::MMFF94TorsionParameterTable | |
EntryIterator typedef | CDPL::ForceField::MMFF94TorsionParameterTable | |
get(unsigned int param_set) | CDPL::ForceField::MMFF94TorsionParameterTable | static |
getEntriesBegin() const | CDPL::ForceField::MMFF94TorsionParameterTable | |
getEntriesBegin() | CDPL::ForceField::MMFF94TorsionParameterTable | |
getEntriesEnd() const | CDPL::ForceField::MMFF94TorsionParameterTable | |
getEntriesEnd() | CDPL::ForceField::MMFF94TorsionParameterTable | |
getEntry(unsigned int tor_type_idx, unsigned int term_atom1_type, unsigned int ctr_atom1_type, unsigned int ctr_atom2_type, unsigned int term_atom2_type) const | CDPL::ForceField::MMFF94TorsionParameterTable | |
getNumEntries() const | CDPL::ForceField::MMFF94TorsionParameterTable | |
load(std::istream &is) | CDPL::ForceField::MMFF94TorsionParameterTable | |
loadDefaults(unsigned int param_set) | CDPL::ForceField::MMFF94TorsionParameterTable | |
MMFF94TorsionParameterTable() | CDPL::ForceField::MMFF94TorsionParameterTable | |
removeEntry(unsigned int tor_type_idx, unsigned int term_atom1_type, unsigned int ctr_atom1_type, unsigned int ctr_atom2_type, unsigned int term_atom2_type) | CDPL::ForceField::MMFF94TorsionParameterTable | |
removeEntry(const EntryIterator &it) | CDPL::ForceField::MMFF94TorsionParameterTable | |
set(const SharedPointer &table, unsigned int param_set) | CDPL::ForceField::MMFF94TorsionParameterTable | static |
SharedPointer typedef | CDPL::ForceField::MMFF94TorsionParameterTable | |