Chemical Data Processing Library Python API - Version 1.1.1
CDPL.ConfGen.ConformerGeneratorSettings Member List

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

__init__()CDPL.ConfGen.ConformerGeneratorSettings
__init__(ConformerGeneratorSettings settings)CDPL.ConfGen.ConformerGeneratorSettings
addEnergyWindowRange(int num_rot_bonds, float win_size)CDPL.ConfGen.ConformerGeneratorSettings
addMaxNumOutputConformersRange(int num_rot_bonds, int max_num)CDPL.ConfGen.ConformerGeneratorSettings
addMinRMSDRange(int num_rot_bonds, float min_rmsd)CDPL.ConfGen.ConformerGeneratorSettings
assign(ConformerGeneratorSettings settings)CDPL.ConfGen.ConformerGeneratorSettings
clearEnergyWindowRanges() (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettings
clearMaxNumOutputConformersRanges() (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettings
clearMinRMSDRanges() (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettings
convCheckCycleSize (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
DEFAULT (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
dielectricConstant (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
distanceExponent (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
energyWindow (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
enumerateRings(bool enumerate)CDPL.ConfGen.ConformerGeneratorSettings
enumerateRings()CDPL.ConfGen.ConformerGeneratorSettings
enumRings (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
forceFieldTypeStochastic (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
forceFieldTypeSystematic (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
fragmentBuildSettings (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
genCoordsFromScratch (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
generateCoordinatesFromScratch(bool generate)CDPL.ConfGen.ConformerGeneratorSettings
generateCoordinatesFromScratch()CDPL.ConfGen.ConformerGeneratorSettings
getConvergenceCheckCycleSize()CDPL.ConfGen.ConformerGeneratorSettings
getDielectricConstant()CDPL.ConfGen.ConformerGeneratorSettings
getDistanceExponent()CDPL.ConfGen.ConformerGeneratorSettings
getEnergyWindow()CDPL.ConfGen.ConformerGeneratorSettings
getEnergyWindow(int num_rot_bonds)CDPL.ConfGen.ConformerGeneratorSettings
getForceFieldTypeStochastic()CDPL.ConfGen.ConformerGeneratorSettings
getForceFieldTypeSystematic()CDPL.ConfGen.ConformerGeneratorSettings
getFragmentBuildSettings()CDPL.ConfGen.ConformerGeneratorSettings
getMacrocycleRotorBondCountThreshold()CDPL.ConfGen.ConformerGeneratorSettings
getMaxNumOutputConformers()CDPL.ConfGen.ConformerGeneratorSettings
getMaxNumOutputConformers(int num_rot_bonds)CDPL.ConfGen.ConformerGeneratorSettings
getMaxNumRefinementIterations()CDPL.ConfGen.ConformerGeneratorSettings
getMaxNumSampledConformers()CDPL.ConfGen.ConformerGeneratorSettings
getMaxPoolSize()CDPL.ConfGen.ConformerGeneratorSettings
getMaxRotatableBondCount()CDPL.ConfGen.ConformerGeneratorSettings
getMinRMSD()CDPL.ConfGen.ConformerGeneratorSettings
getMinRMSD(int num_rot_bonds)CDPL.ConfGen.ConformerGeneratorSettings
getNitrogenEnumerationMode()CDPL.ConfGen.ConformerGeneratorSettings
getObjectID()CDPL.ConfGen.ConformerGeneratorSettings
getRefinementTolerance()CDPL.ConfGen.ConformerGeneratorSettings
getSamplingMode()CDPL.ConfGen.ConformerGeneratorSettings
getTimeout()CDPL.ConfGen.ConformerGeneratorSettings
includeInputCoordinates(bool include)CDPL.ConfGen.ConformerGeneratorSettings
includeInputCoordinates()CDPL.ConfGen.ConformerGeneratorSettings
includeInputCoords (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
LARGE_SET_DENSE (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
LARGE_SET_DIVERSE (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
macrocycleRotorBondCountThresh (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
maxNumOutputConformers (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
maxNumRefinementIterations (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
maxNumSampledConformers (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
maxPoolSize (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
maxRotatableBondCount (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
MEDIUM_SET_DENSE (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
MEDIUM_SET_DIVERSE (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
minRMSD (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
nitrogenEnumMode (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
objectID (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
refinementTolerance (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
sampleAngleToleranceRanges(bool sample)CDPL.ConfGen.ConformerGeneratorSettings
sampleAngleToleranceRanges()CDPL.ConfGen.ConformerGeneratorSettings
sampleAngleTolRanges (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
sampleHetAtomHydrogens (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
sampleHeteroAtomHydrogens(bool sample)CDPL.ConfGen.ConformerGeneratorSettings
sampleHeteroAtomHydrogens()CDPL.ConfGen.ConformerGeneratorSettings
samplingMode (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
setConvergenceCheckCycleSize(int size)CDPL.ConfGen.ConformerGeneratorSettings
setDielectricConstant(float de_const)CDPL.ConfGen.ConformerGeneratorSettings
setDistanceExponent(float dist_expo)CDPL.ConfGen.ConformerGeneratorSettings
setEnergyWindow(float win_size)CDPL.ConfGen.ConformerGeneratorSettings
setForceFieldTypeStochastic(int type)CDPL.ConfGen.ConformerGeneratorSettings
setForceFieldTypeSystematic(int type)CDPL.ConfGen.ConformerGeneratorSettings
setMacrocycleRotorBondCountThreshold(int max_size)CDPL.ConfGen.ConformerGeneratorSettings
setMaxNumOutputConformers(int max_num)CDPL.ConfGen.ConformerGeneratorSettings
setMaxNumRefinementIterations(int max_num)CDPL.ConfGen.ConformerGeneratorSettings
setMaxNumSampledConformers(int max_num)CDPL.ConfGen.ConformerGeneratorSettings
setMaxPoolSize(int max_size)CDPL.ConfGen.ConformerGeneratorSettings
setMaxRotatableBondCount(int max_count)CDPL.ConfGen.ConformerGeneratorSettings
setMinRMSD(float min_rmsd)CDPL.ConfGen.ConformerGeneratorSettings
setNitrogenEnumerationMode(int mode)CDPL.ConfGen.ConformerGeneratorSettings
setRefinementStopGradient(float tol)CDPL.ConfGen.ConformerGeneratorSettings
setSamplingMode(int mode)CDPL.ConfGen.ConformerGeneratorSettings
setTimeout(int mil_secs)CDPL.ConfGen.ConformerGeneratorSettings
SMALL_SET_DENSE (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
SMALL_SET_DIVERSE (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
strictForceFieldParam (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
strictForceFieldParameterization(bool strict)CDPL.ConfGen.ConformerGeneratorSettings
strictForceFieldParameterization()CDPL.ConfGen.ConformerGeneratorSettings
timeout (defined in CDPL.ConfGen.ConformerGeneratorSettings)CDPL.ConfGen.ConformerGeneratorSettingsstatic
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