#include <Fragment.h>
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| Largest (std::string &smiles, boost::shared_ptr< ROMol > fragment, unsigned int &numatoms, double &weight, bool &organic) |
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Definition at line 88 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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boost::shared_ptr< ROMol > | fragment, |
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unsigned int & | numatoms, |
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double & | weight, |
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bool & | organic ) |
◆ Fragment
boost::shared_ptr<ROMol> RDKit::MolStandardize::LargestFragmentChooser::Largest::Fragment |
◆ NumAtoms
unsigned int RDKit::MolStandardize::LargestFragmentChooser::Largest::NumAtoms {0} |
◆ Organic
bool RDKit::MolStandardize::LargestFragmentChooser::Largest::Organic {false} |
◆ Smiles
std::string RDKit::MolStandardize::LargestFragmentChooser::Largest::Smiles |
◆ Weight
double RDKit::MolStandardize::LargestFragmentChooser::Largest::Weight {0} |
The documentation for this struct was generated from the following file: