CDPL::ConfGen::ConformerGeneratorSettings Member List

This is the complete list of members for CDPL::ConfGen::ConformerGeneratorSettings, including all inherited members.

addEnergyWindowRange(std::size_t num_rot_bonds, double win_size)	CDPL::ConfGen::ConformerGeneratorSettings
addMaxNumOutputConformersRange(std::size_t num_rot_bonds, std::size_t max_num)	CDPL::ConfGen::ConformerGeneratorSettings
addMinRMSDRange(std::size_t num_rot_bonds, double min_rmsd)	CDPL::ConfGen::ConformerGeneratorSettings
clearEnergyWindowRanges()	CDPL::ConfGen::ConformerGeneratorSettings
clearMaxNumOutputConformersRanges()	CDPL::ConfGen::ConformerGeneratorSettings
clearMinRMSDRanges()	CDPL::ConfGen::ConformerGeneratorSettings
ConformerGeneratorSettings()	CDPL::ConfGen::ConformerGeneratorSettings
DEFAULT	CDPL::ConfGen::ConformerGeneratorSettings	static
enumerateRings(bool enumerate)	CDPL::ConfGen::ConformerGeneratorSettings
enumerateRings() const	CDPL::ConfGen::ConformerGeneratorSettings
generateCoordinatesFromScratch(bool generate)	CDPL::ConfGen::ConformerGeneratorSettings
generateCoordinatesFromScratch() const	CDPL::ConfGen::ConformerGeneratorSettings
getConvergenceCheckCycleSize() const	CDPL::ConfGen::ConformerGeneratorSettings
getDielectricConstant() const	CDPL::ConfGen::ConformerGeneratorSettings
getDistanceExponent() const	CDPL::ConfGen::ConformerGeneratorSettings
getEnergyWindow() const	CDPL::ConfGen::ConformerGeneratorSettings
getEnergyWindow(std::size_t num_rot_bonds) const	CDPL::ConfGen::ConformerGeneratorSettings
getForceFieldTypeStochastic() const	CDPL::ConfGen::ConformerGeneratorSettings
getForceFieldTypeSystematic() const	CDPL::ConfGen::ConformerGeneratorSettings
getFragmentBuildSettings()	CDPL::ConfGen::ConformerGeneratorSettings
getFragmentBuildSettings() const	CDPL::ConfGen::ConformerGeneratorSettings
getMacrocycleRotorBondCountThreshold() const	CDPL::ConfGen::ConformerGeneratorSettings
getMaxNumOutputConformers() const	CDPL::ConfGen::ConformerGeneratorSettings
getMaxNumOutputConformers(std::size_t num_rot_bonds) const	CDPL::ConfGen::ConformerGeneratorSettings
getMaxNumRefinementIterations() const	CDPL::ConfGen::ConformerGeneratorSettings
getMaxNumSampledConformers() const	CDPL::ConfGen::ConformerGeneratorSettings
getMaxPoolSize() const	CDPL::ConfGen::ConformerGeneratorSettings
getMaxRotatableBondCount() const	CDPL::ConfGen::ConformerGeneratorSettings
getMinRMSD() const	CDPL::ConfGen::ConformerGeneratorSettings
getMinRMSD(std::size_t num_rot_bonds) const	CDPL::ConfGen::ConformerGeneratorSettings
getNitrogenEnumerationMode() const	CDPL::ConfGen::ConformerGeneratorSettings
getRefinementTolerance() const	CDPL::ConfGen::ConformerGeneratorSettings
getSamplingMode() const	CDPL::ConfGen::ConformerGeneratorSettings
getTimeout() const	CDPL::ConfGen::ConformerGeneratorSettings
includeInputCoordinates(bool include)	CDPL::ConfGen::ConformerGeneratorSettings
includeInputCoordinates() const	CDPL::ConfGen::ConformerGeneratorSettings
LARGE_SET_DENSE	CDPL::ConfGen::ConformerGeneratorSettings	static
LARGE_SET_DIVERSE	CDPL::ConfGen::ConformerGeneratorSettings	static
MEDIUM_SET_DENSE	CDPL::ConfGen::ConformerGeneratorSettings	static
MEDIUM_SET_DIVERSE	CDPL::ConfGen::ConformerGeneratorSettings	static
sampleAngleToleranceRanges(bool sample)	CDPL::ConfGen::ConformerGeneratorSettings
sampleAngleToleranceRanges() const	CDPL::ConfGen::ConformerGeneratorSettings
sampleHeteroAtomHydrogens(bool sample)	CDPL::ConfGen::ConformerGeneratorSettings
sampleHeteroAtomHydrogens() const	CDPL::ConfGen::ConformerGeneratorSettings
setConvergenceCheckCycleSize(std::size_t size)	CDPL::ConfGen::ConformerGeneratorSettings
setDielectricConstant(double de_const)	CDPL::ConfGen::ConformerGeneratorSettings
setDistanceExponent(double exponent)	CDPL::ConfGen::ConformerGeneratorSettings
setEnergyWindow(double win_size)	CDPL::ConfGen::ConformerGeneratorSettings
setForceFieldTypeStochastic(unsigned int type)	CDPL::ConfGen::ConformerGeneratorSettings
setForceFieldTypeSystematic(unsigned int type)	CDPL::ConfGen::ConformerGeneratorSettings
setMacrocycleRotorBondCountThreshold(std::size_t min_count)	CDPL::ConfGen::ConformerGeneratorSettings
setMaxNumOutputConformers(std::size_t max_num)	CDPL::ConfGen::ConformerGeneratorSettings
setMaxNumRefinementIterations(std::size_t max_iter)	CDPL::ConfGen::ConformerGeneratorSettings
setMaxNumSampledConformers(std::size_t max_num)	CDPL::ConfGen::ConformerGeneratorSettings
setMaxPoolSize(std::size_t max_size)	CDPL::ConfGen::ConformerGeneratorSettings
setMaxRotatableBondCount(long max_count)	CDPL::ConfGen::ConformerGeneratorSettings
setMinRMSD(double min_rmsd)	CDPL::ConfGen::ConformerGeneratorSettings
setNitrogenEnumerationMode(unsigned int mode)	CDPL::ConfGen::ConformerGeneratorSettings
setRefinementTolerance(double tol)	CDPL::ConfGen::ConformerGeneratorSettings
setSamplingMode(unsigned int mode)	CDPL::ConfGen::ConformerGeneratorSettings
setTimeout(std::size_t mil_secs)	CDPL::ConfGen::ConformerGeneratorSettings
SMALL_SET_DENSE	CDPL::ConfGen::ConformerGeneratorSettings	static
SMALL_SET_DIVERSE	CDPL::ConfGen::ConformerGeneratorSettings	static
strictForceFieldParameterization(bool strict)	CDPL::ConfGen::ConformerGeneratorSettings
strictForceFieldParameterization() const	CDPL::ConfGen::ConformerGeneratorSettings