addEntry(unsigned int bond_type_idx, unsigned int atom1_type, unsigned int atom2_type, double bond_chg_inc) | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
begin() const | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
begin() | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
clear() | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
ConstEntryIterator typedef | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
end() const | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
end() | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
EntryIterator typedef | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
get() | CDPL::ForceField::MMFF94BondChargeIncrementTable | static |
getEntriesBegin() const | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
getEntriesBegin() | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
getEntriesEnd() const | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
getEntriesEnd() | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
getEntry(unsigned int bond_type_idx, unsigned int atom1_type, unsigned int atom2_type) const | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
getNumEntries() const | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
load(std::istream &is) | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
loadDefaults() | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
MMFF94BondChargeIncrementTable() | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
removeEntry(unsigned int bond_type_idx, unsigned int atom1_type, unsigned int atom2_type) | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
removeEntry(const EntryIterator &it) | CDPL::ForceField::MMFF94BondChargeIncrementTable | |
set(const SharedPointer &table) | CDPL::ForceField::MMFF94BondChargeIncrementTable | static |
SharedPointer typedef | CDPL::ForceField::MMFF94BondChargeIncrementTable | |