#include <FragmentConformerGenerator.hpp>
◆ ConstConformerIterator
◆ ConformerIterator
◆ FragmentConformerGenerator()
CDPL::ConfGen::FragmentConformerGenerator::FragmentConformerGenerator |
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◆ ~FragmentConformerGenerator()
CDPL::ConfGen::FragmentConformerGenerator::~FragmentConformerGenerator |
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◆ getSettings() [1/2]
◆ getSettings() [2/2]
◆ setAbortCallback()
void CDPL::ConfGen::FragmentConformerGenerator::setAbortCallback |
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const CallbackFunction & |
func | ) |
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◆ getAbortCallback()
const CallbackFunction& CDPL::ConfGen::FragmentConformerGenerator::getAbortCallback |
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const |
◆ setTimeoutCallback()
void CDPL::ConfGen::FragmentConformerGenerator::setTimeoutCallback |
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const CallbackFunction & |
func | ) |
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◆ getTimeoutCallback()
const CallbackFunction& CDPL::ConfGen::FragmentConformerGenerator::getTimeoutCallback |
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const |
◆ setLogMessageCallback()
◆ getLogMessageCallback()
◆ generate() [1/4]
unsigned int CDPL::ConfGen::FragmentConformerGenerator::generate |
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const Chem::MolecularGraph & |
molgraph | ) |
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◆ generate() [2/4]
unsigned int CDPL::ConfGen::FragmentConformerGenerator::generate |
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const Chem::MolecularGraph & |
molgraph, |
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unsigned int |
frag_type |
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) |
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◆ generate() [3/4]
◆ generate() [4/4]
◆ setConformers()
void CDPL::ConfGen::FragmentConformerGenerator::setConformers |
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Chem::MolecularGraph & |
molgraph | ) |
const |
◆ getNumConformers()
std::size_t CDPL::ConfGen::FragmentConformerGenerator::getNumConformers |
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const |
◆ getConformer() [1/2]
const ConformerData& CDPL::ConfGen::FragmentConformerGenerator::getConformer |
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std::size_t |
idx | ) |
const |
◆ getConformer() [2/2]
ConformerData& CDPL::ConfGen::FragmentConformerGenerator::getConformer |
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std::size_t |
idx | ) |
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◆ getConformersBegin() [1/2]
◆ getConformersEnd() [1/2]
◆ getConformersBegin() [2/2]
◆ getConformersEnd() [2/2]
◆ begin() [1/2]
◆ end() [1/2]
◆ begin() [2/2]
◆ end() [2/2]
The documentation for this class was generated from the following file: