__init__() | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
__init__(FragmentConformerGeneratorSettings settings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
assign(FragmentConformerGeneratorSettings settings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
chainSettings (defined in CDPL.ConfGen.FragmentConformerGeneratorSettings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | static |
DEFAULT (defined in CDPL.ConfGen.FragmentConformerGeneratorSettings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | static |
dielectricConstant (defined in CDPL.ConfGen.FragmentConformerGeneratorSettings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | static |
distanceExponent (defined in CDPL.ConfGen.FragmentConformerGeneratorSettings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | static |
FAST (defined in CDPL.ConfGen.FragmentConformerGeneratorSettings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | static |
forceFieldType (defined in CDPL.ConfGen.FragmentConformerGeneratorSettings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | static |
getChainSettings() | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
getDielectricConstant() | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
getDistanceExponent() | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
getForceFieldType() | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
getMacrocycleRotorBondCountThreshold() | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
getMacrocycleSettings() | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
getMaxNumRefinementIterations() | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
getObjectID() | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
getRefinementStopGradient() | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
getSmallRingSystemSamplingFactor() | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
getSmallRingSystemSettings() | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
macrocycleRotorBondCountThresh (defined in CDPL.ConfGen.FragmentConformerGeneratorSettings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | static |
macrocycleSettings (defined in CDPL.ConfGen.FragmentConformerGeneratorSettings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | static |
maxNumRefinementIterations (defined in CDPL.ConfGen.FragmentConformerGeneratorSettings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | static |
objectID (defined in CDPL.ConfGen.FragmentConformerGeneratorSettings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | static |
preserveInputBondingGeom (defined in CDPL.ConfGen.FragmentConformerGeneratorSettings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | static |
preserveInputBondingGeometries(bool preserve) | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
preserveInputBondingGeometries() | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
refinementStopGradient (defined in CDPL.ConfGen.FragmentConformerGeneratorSettings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | static |
setDielectricConstant(float de_const) | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
setDistanceExponent(float dist_expo) | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
setForceFieldType(int type) | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
setMacrocycleRotorBondCountThreshold(int max_size) | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
setMaxNumRefinementIterations(int max_num) | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
setRefinementStopGradient(float grad_norm) | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
setSmallRingSystemSamplingFactor(int min_rmsd) | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
smallRingSysSamplingFactor (defined in CDPL.ConfGen.FragmentConformerGeneratorSettings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | static |
smallRingSysSettings (defined in CDPL.ConfGen.FragmentConformerGeneratorSettings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | static |
strictForceFieldParam (defined in CDPL.ConfGen.FragmentConformerGeneratorSettings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | static |
strictForceFieldParameterization(bool strict) | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
strictForceFieldParameterization() | CDPL.ConfGen.FragmentConformerGeneratorSettings | |
THOROUGH (defined in CDPL.ConfGen.FragmentConformerGeneratorSettings) | CDPL.ConfGen.FragmentConformerGeneratorSettings | static |