Chemical Data Processing Library C++ API - Version 1.1.1
CDPL::ForceField::UFFAtomTypePropertyTable::Entry Member List

This is the complete list of members for CDPL::ForceField::UFFAtomTypePropertyTable::Entry, including all inherited members.

Entry()CDPL::ForceField::UFFAtomTypePropertyTable::Entry
Entry(unsigned int atom_type, const std::string &atom_type_sym, unsigned int atomic_no, double bond_rad, double bond_ang, double vdw_dist, double vdw_energy, double vdw_scale, double eff_charge)CDPL::ForceField::UFFAtomTypePropertyTable::Entry
getAtomicNumber() constCDPL::ForceField::UFFAtomTypePropertyTable::Entry
getAtomType() constCDPL::ForceField::UFFAtomTypePropertyTable::Entry
getAtomTypeSymbol() constCDPL::ForceField::UFFAtomTypePropertyTable::Entry
getBondAngle() constCDPL::ForceField::UFFAtomTypePropertyTable::Entry
getBondRadius() constCDPL::ForceField::UFFAtomTypePropertyTable::Entry
getEffectiveCharge() constCDPL::ForceField::UFFAtomTypePropertyTable::Entry
getVdWDistance() constCDPL::ForceField::UFFAtomTypePropertyTable::Entry
getVdWEnergy() constCDPL::ForceField::UFFAtomTypePropertyTable::Entry
getVdWScale() constCDPL::ForceField::UFFAtomTypePropertyTable::Entry
operator bool() constCDPL::ForceField::UFFAtomTypePropertyTable::Entry