#include <TorsionDriverSettings.hpp>
◆ TorsionDriverSettings()
CDPL::ConfGen::TorsionDriverSettings::TorsionDriverSettings |
( |
| ) |
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◆ sampleHeteroAtomHydrogens() [1/2]
void CDPL::ConfGen::TorsionDriverSettings::sampleHeteroAtomHydrogens |
( |
bool |
sample | ) |
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◆ sampleHeteroAtomHydrogens() [2/2]
bool CDPL::ConfGen::TorsionDriverSettings::sampleHeteroAtomHydrogens |
( |
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const |
◆ sampleAngleToleranceRanges() [1/2]
void CDPL::ConfGen::TorsionDriverSettings::sampleAngleToleranceRanges |
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bool |
sample | ) |
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◆ sampleAngleToleranceRanges() [2/2]
bool CDPL::ConfGen::TorsionDriverSettings::sampleAngleToleranceRanges |
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const |
◆ orderByEnergy() [1/2]
void CDPL::ConfGen::TorsionDriverSettings::orderByEnergy |
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bool |
order | ) |
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◆ orderByEnergy() [2/2]
bool CDPL::ConfGen::TorsionDriverSettings::orderByEnergy |
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const |
◆ setEnergyWindow()
void CDPL::ConfGen::TorsionDriverSettings::setEnergyWindow |
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double |
win_size | ) |
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◆ getEnergyWindow()
double CDPL::ConfGen::TorsionDriverSettings::getEnergyWindow |
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const |
◆ setMaxPoolSize()
void CDPL::ConfGen::TorsionDriverSettings::setMaxPoolSize |
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std::size_t |
max_size | ) |
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◆ getMaxPoolSize()
std::size_t CDPL::ConfGen::TorsionDriverSettings::getMaxPoolSize |
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const |
◆ setForceFieldType()
void CDPL::ConfGen::TorsionDriverSettings::setForceFieldType |
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unsigned int |
type | ) |
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◆ getForceFieldType()
unsigned int CDPL::ConfGen::TorsionDriverSettings::getForceFieldType |
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const |
◆ strictForceFieldParameterization() [1/2]
void CDPL::ConfGen::TorsionDriverSettings::strictForceFieldParameterization |
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bool |
strict | ) |
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◆ strictForceFieldParameterization() [2/2]
bool CDPL::ConfGen::TorsionDriverSettings::strictForceFieldParameterization |
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const |
◆ setDielectricConstant()
void CDPL::ConfGen::TorsionDriverSettings::setDielectricConstant |
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double |
de_const | ) |
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◆ getDielectricConstant()
double CDPL::ConfGen::TorsionDriverSettings::getDielectricConstant |
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const |
◆ setDistanceExponent()
void CDPL::ConfGen::TorsionDriverSettings::setDistanceExponent |
( |
double |
exponent | ) |
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◆ getDistanceExponent()
double CDPL::ConfGen::TorsionDriverSettings::getDistanceExponent |
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const |
◆ DEFAULT
The documentation for this class was generated from the following file: