#include <Fragment.h>
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| Largest () |
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| Largest (std::string &smiles, const boost::shared_ptr< ROMol > &fragment, unsigned int &numatoms, double &weight, bool &organic) |
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Definition at line 61 of file Fragment.h.
◆ Largest() [1/2]
RDKit::MolStandardize::LargestFragmentChooser::Largest::Largest |
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◆ Largest() [2/2]
RDKit::MolStandardize::LargestFragmentChooser::Largest::Largest |
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std::string & |
smiles, |
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const boost::shared_ptr< ROMol > & |
fragment, |
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unsigned int & |
numatoms, |
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double & |
weight, |
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bool & |
organic |
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◆ Fragment
boost::shared_ptr<ROMol> RDKit::MolStandardize::LargestFragmentChooser::Largest::Fragment |
◆ NumAtoms
unsigned int RDKit::MolStandardize::LargestFragmentChooser::Largest::NumAtoms |
◆ Organic
bool RDKit::MolStandardize::LargestFragmentChooser::Largest::Organic |
◆ Smiles
std::string RDKit::MolStandardize::LargestFragmentChooser::Largest::Smiles |
◆ Weight
double RDKit::MolStandardize::LargestFragmentChooser::Largest::Weight |
The documentation for this struct was generated from the following file: