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Chemical Data Processing Library C++ API - Version 1.1.1
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Chemical Data Processing Library C++ API - Version 1.1.1
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This is the complete list of members for CDPL::ForceField::MMFF94AtomTyper, including all inherited members.
| MMFF94AtomTyper() | CDPL::ForceField::MMFF94AtomTyper | |
| MMFF94AtomTyper(const Chem::MolecularGraph &molgraph, Util::SArray &sym_types, Util::UIArray &num_types, bool strict) | CDPL::ForceField::MMFF94AtomTyper | |
| perceiveTypes(const Chem::MolecularGraph &molgraph, Util::SArray &sym_types, Util::UIArray &num_types, bool strict) | CDPL::ForceField::MMFF94AtomTyper | |
| setAromaticAtomTypeDefinitionTable(const MMFF94AromaticAtomTypeDefinitionTable::SharedPointer &table) | CDPL::ForceField::MMFF94AtomTyper | |
| setAromaticRingSetFunction(const MMFF94RingSetFunction &func) | CDPL::ForceField::MMFF94AtomTyper | |
| setAtomTypePropertyTable(const MMFF94AtomTypePropertyTable::SharedPointer &table) | CDPL::ForceField::MMFF94AtomTyper | |
| setHeavyToHydrogenAtomTypeMap(const MMFF94HeavyToHydrogenAtomTypeMap::SharedPointer &map) | CDPL::ForceField::MMFF94AtomTyper | |
| setSymbolicAtomTypePatternTable(const MMFF94SymbolicAtomTypePatternTable::SharedPointer &table) | CDPL::ForceField::MMFF94AtomTyper | |
| setSymbolicToNumericAtomTypeMap(const MMFF94SymbolicToNumericAtomTypeMap::SharedPointer &map) | CDPL::ForceField::MMFF94AtomTyper | |
| SharedPointer typedef | CDPL::ForceField::MMFF94AtomTyper |
1.8.20