Chemical Data Processing Library C++ API - Version 1.1.1
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Type definition of generic wrapper classes for storing user-defined functions for the retrieval of MMFF94 related properties. More...
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Namespaces | |
CDPL | |
The namespace of the Chemical Data Processing Library. | |
CDPL::Chem | |
Contains classes and functions related to chemistry. | |
CDPL::ForceField | |
Contains classes and functions related to molecular force fields. | |
Typedefs | |
typedef std::function< unsigned int(const Chem::Atom &)> | CDPL::ForceField::MMFF94NumericAtomTypeFunction |
A generic wrapper class used to store a user-defined numeric MMFF94 atom type function. More... | |
typedef std::function< const std::string &(const Chem::Atom &)> | CDPL::ForceField::MMFF94SymbolicAtomTypeFunction |
A generic wrapper class used to store a user-defined symbolic MMFF94 atom type function. More... | |
typedef std::function< double(const Chem::Atom &)> | CDPL::ForceField::MMFF94AtomChargeFunction |
A generic wrapper class used to store a user-defined MMFF94 partial atom charge function. More... | |
typedef std::function< unsigned int(const Chem::Bond &)> | CDPL::ForceField::MMFF94BondTypeIndexFunction |
A generic wrapper class used to store a user-defined MMFF94 bond type index function. More... | |
typedef std::function< const Chem::FragmentList::SharedPointer &(const Chem::MolecularGraph &)> | CDPL::ForceField::MMFF94RingSetFunction |
A generic wrapper class used to store a user-defined MMFF94 ring set function. More... | |
Type definition of generic wrapper classes for storing user-defined functions for the retrieval of MMFF94 related properties.