Chemical Data Processing Library C++ API - Version 1.1.1
CDPL::ForceField::MMFF94TorsionParameterTable::Entry Member List

This is the complete list of members for CDPL::ForceField::MMFF94TorsionParameterTable::Entry, including all inherited members.

Entry()CDPL::ForceField::MMFF94TorsionParameterTable::Entry
Entry(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::Entry
getCenterAtom1Type() constCDPL::ForceField::MMFF94TorsionParameterTable::Entry
getCenterAtom2Type() constCDPL::ForceField::MMFF94TorsionParameterTable::Entry
getTerminalAtom1Type() constCDPL::ForceField::MMFF94TorsionParameterTable::Entry
getTerminalAtom2Type() constCDPL::ForceField::MMFF94TorsionParameterTable::Entry
getTorsionParameter1() constCDPL::ForceField::MMFF94TorsionParameterTable::Entry
getTorsionParameter2() constCDPL::ForceField::MMFF94TorsionParameterTable::Entry
getTorsionParameter3() constCDPL::ForceField::MMFF94TorsionParameterTable::Entry
getTorsionTypeIndex() constCDPL::ForceField::MMFF94TorsionParameterTable::Entry
operator bool() constCDPL::ForceField::MMFF94TorsionParameterTable::Entry
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