#include <FragmentConformerGeneratorSettings.hpp>
◆ FragmentSettings()
CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::FragmentSettings |
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◆ setMaxNumSampledConformers()
void CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::setMaxNumSampledConformers |
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std::size_t |
max_num | ) |
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◆ getMaxNumSampledConformers()
std::size_t CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::getMaxNumSampledConformers |
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const |
◆ setMinNumSampledConformers()
void CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::setMinNumSampledConformers |
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std::size_t |
min_num | ) |
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◆ getMinNumSampledConformers()
std::size_t CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::getMinNumSampledConformers |
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const |
◆ setTimeout()
void CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::setTimeout |
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std::size_t |
mil_secs | ) |
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◆ getTimeout()
std::size_t CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::getTimeout |
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const |
◆ setEnergyWindow()
void CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::setEnergyWindow |
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double |
win_size | ) |
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◆ getEnergyWindow()
double CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::getEnergyWindow |
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const |
◆ setMaxNumOutputConformers()
void CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::setMaxNumOutputConformers |
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std::size_t |
max_num | ) |
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◆ getMaxNumOutputConformers()
std::size_t CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::getMaxNumOutputConformers |
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const |
◆ setMinRMSD()
void CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::setMinRMSD |
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double |
min_rmsd | ) |
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◆ getMinRMSD()
double CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::getMinRMSD |
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const |
The documentation for this class was generated from the following file: