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RDKit
Open-source cheminformatics and machine learning.
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#include <Params.h>
Public Member Functions | |
bool | isMMFFAromatic (const unsigned int atomType) const |
Looks up the parameters for a particular key and returns them. More... | |
MMFFAromCollection (const std::uint8_t mmffArom[]=nullptr) | |
Public Attributes | |
std::vector< std::uint8_t > | d_params |
the aromatic type vector More... | |
Definition at line 158 of file MMFF/Params.h.
ForceFields::MMFF::MMFFAromCollection::MMFFAromCollection | ( | const std::uint8_t | mmffArom[] = nullptr | ) |
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inline |
Looks up the parameters for a particular key and returns them.
Definition at line 164 of file MMFF/Params.h.
std::vector<std::uint8_t> ForceFields::MMFF::MMFFAromCollection::d_params |
the aromatic type vector
Definition at line 172 of file MMFF/Params.h.