| __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.ConformerGeneratorSettings | static |
| DEFAULT (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| dielectricConstant (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| distanceExponent (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| energyWindow (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| enumerateRings(bool enumerate) | CDPL.ConfGen.ConformerGeneratorSettings | |
| enumerateRings() | CDPL.ConfGen.ConformerGeneratorSettings | |
| enumRings (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| forceFieldTypeStochastic (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| forceFieldTypeSystematic (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| fragmentBuildSettings (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| genCoordsFromScratch (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| 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.ConformerGeneratorSettings | static |
| LARGE_SET_DENSE (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| LARGE_SET_DIVERSE (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| macrocycleRotorBondCountThresh (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| maxNumOutputConformers (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| maxNumRefinementIterations (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| maxNumSampledConformers (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| maxPoolSize (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| maxRotatableBondCount (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| MEDIUM_SET_DENSE (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| MEDIUM_SET_DIVERSE (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| minRMSD (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| nitrogenEnumMode (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| objectID (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| refinementTolerance (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| sampleAngleToleranceRanges(bool sample) | CDPL.ConfGen.ConformerGeneratorSettings | |
| sampleAngleToleranceRanges() | CDPL.ConfGen.ConformerGeneratorSettings | |
| sampleAngleTolRanges (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| sampleHetAtomHydrogens (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| sampleHeteroAtomHydrogens(bool sample) | CDPL.ConfGen.ConformerGeneratorSettings | |
| sampleHeteroAtomHydrogens() | CDPL.ConfGen.ConformerGeneratorSettings | |
| samplingMode (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| 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.ConformerGeneratorSettings | static |
| SMALL_SET_DIVERSE (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| strictForceFieldParam (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
| strictForceFieldParameterization(bool strict) | CDPL.ConfGen.ConformerGeneratorSettings | |
| strictForceFieldParameterization() | CDPL.ConfGen.ConformerGeneratorSettings | |
| timeout (defined in CDPL.ConfGen.ConformerGeneratorSettings) | CDPL.ConfGen.ConformerGeneratorSettings | static |
1.8.20
