#include <RMSDConformerSelector.hpp>
◆ RMSDConformerSelector()
CDPL::ConfGen::RMSDConformerSelector::RMSDConformerSelector |
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◆ setMinRMSD()
void CDPL::ConfGen::RMSDConformerSelector::setMinRMSD |
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double |
min_rmsd | ) |
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◆ getMinRMSD()
double CDPL::ConfGen::RMSDConformerSelector::getMinRMSD |
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const |
◆ setAbortCallback()
void CDPL::ConfGen::RMSDConformerSelector::setAbortCallback |
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const CallbackFunction & |
func | ) |
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◆ getAbortCallback()
const CallbackFunction& CDPL::ConfGen::RMSDConformerSelector::getAbortCallback |
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const |
◆ getNumSymmetryMappings()
std::size_t CDPL::ConfGen::RMSDConformerSelector::getNumSymmetryMappings |
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const |
◆ setMaxNumSymmetryMappings()
void CDPL::ConfGen::RMSDConformerSelector::setMaxNumSymmetryMappings |
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std::size_t |
max_num | ) |
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◆ getMaxNumSymmetryMappings()
std::size_t CDPL::ConfGen::RMSDConformerSelector::getMaxNumSymmetryMappings |
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const |
◆ setup() [1/2]
◆ setup() [2/2]
◆ selected()
◆ DEF_MAX_NUM_SYMMETRY_MAPPINGS
constexpr std::size_t CDPL::ConfGen::RMSDConformerSelector::DEF_MAX_NUM_SYMMETRY_MAPPINGS = 32768 |
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staticconstexpr |
The documentation for this class was generated from the following file: