__init__() | CDPL.ConfGen.StructureGeneratorSettings | |
__init__(StructureGeneratorSettings settings) | CDPL.ConfGen.StructureGeneratorSettings | |
assign(StructureGeneratorSettings settings) | CDPL.ConfGen.StructureGeneratorSettings | |
convCheckCycleSize (defined in CDPL.ConfGen.StructureGeneratorSettings) | CDPL.ConfGen.StructureGeneratorSettings | static |
DEFAULT (defined in CDPL.ConfGen.StructureGeneratorSettings) | CDPL.ConfGen.StructureGeneratorSettings | static |
dgModeForceFieldType (defined in CDPL.ConfGen.StructureGeneratorSettings) | CDPL.ConfGen.StructureGeneratorSettings | static |
dielectricConstant (defined in CDPL.ConfGen.StructureGeneratorSettings) | CDPL.ConfGen.StructureGeneratorSettings | static |
distanceExponent (defined in CDPL.ConfGen.StructureGeneratorSettings) | CDPL.ConfGen.StructureGeneratorSettings | static |
fragmentBuildSettings (defined in CDPL.ConfGen.StructureGeneratorSettings) | CDPL.ConfGen.StructureGeneratorSettings | static |
fragModeForceFieldType (defined in CDPL.ConfGen.StructureGeneratorSettings) | CDPL.ConfGen.StructureGeneratorSettings | static |
genCoordsFromScratch (defined in CDPL.ConfGen.StructureGeneratorSettings) | CDPL.ConfGen.StructureGeneratorSettings | static |
generateCoordinatesFromScratch(bool generate) | CDPL.ConfGen.StructureGeneratorSettings | |
generateCoordinatesFromScratch() | CDPL.ConfGen.StructureGeneratorSettings | |
generationMode (defined in CDPL.ConfGen.StructureGeneratorSettings) | CDPL.ConfGen.StructureGeneratorSettings | static |
getConvergenceCheckCycleSize() | CDPL.ConfGen.StructureGeneratorSettings | |
getDGModeForceFieldType() | CDPL.ConfGen.StructureGeneratorSettings | |
getDielectricConstant() | CDPL.ConfGen.StructureGeneratorSettings | |
getDistanceExponent() | CDPL.ConfGen.StructureGeneratorSettings | |
getFragmentBuildSettings() | CDPL.ConfGen.StructureGeneratorSettings | |
getFragmentModeForceFieldType() | CDPL.ConfGen.StructureGeneratorSettings | |
getGenerationMode() | CDPL.ConfGen.StructureGeneratorSettings | |
getMacrocycleRotorBondCountThreshold() | CDPL.ConfGen.StructureGeneratorSettings | |
getMaxNumRefinementIterations() | CDPL.ConfGen.StructureGeneratorSettings | |
getMaxNumSampledConformers() | CDPL.ConfGen.StructureGeneratorSettings | |
getObjectID() | CDPL.ConfGen.StructureGeneratorSettings | |
getRefinementTolerance() | CDPL.ConfGen.StructureGeneratorSettings | |
getTimeout() | CDPL.ConfGen.StructureGeneratorSettings | |
macrocycleRotorBondCountThresh (defined in CDPL.ConfGen.StructureGeneratorSettings) | CDPL.ConfGen.StructureGeneratorSettings | static |
maxNumRefinementIterations (defined in CDPL.ConfGen.StructureGeneratorSettings) | CDPL.ConfGen.StructureGeneratorSettings | static |
maxNumSampledConformers (defined in CDPL.ConfGen.StructureGeneratorSettings) | CDPL.ConfGen.StructureGeneratorSettings | static |
objectID (defined in CDPL.ConfGen.StructureGeneratorSettings) | CDPL.ConfGen.StructureGeneratorSettings | static |
refinementTolerance (defined in CDPL.ConfGen.StructureGeneratorSettings) | CDPL.ConfGen.StructureGeneratorSettings | static |
sampleAngleToleranceRanges(bool sample) | CDPL.ConfGen.StructureGeneratorSettings | |
sampleAngleToleranceRanges() | CDPL.ConfGen.StructureGeneratorSettings | |
sampleAngleTolRanges (defined in CDPL.ConfGen.StructureGeneratorSettings) | CDPL.ConfGen.StructureGeneratorSettings | static |
setConvergenceCheckCycleSize(int size) | CDPL.ConfGen.StructureGeneratorSettings | |
setDGModeForceFieldType(int type) | CDPL.ConfGen.StructureGeneratorSettings | |
setDielectricConstant(float de_const) | CDPL.ConfGen.StructureGeneratorSettings | |
setDistanceExponent(float dist_expo) | CDPL.ConfGen.StructureGeneratorSettings | |
setFragmentModeForceFieldType(int type) | CDPL.ConfGen.StructureGeneratorSettings | |
setGenerationMode(int mode) | CDPL.ConfGen.StructureGeneratorSettings | |
setMacrocycleRotorBondCountThreshold(int max_size) | CDPL.ConfGen.StructureGeneratorSettings | |
setMaxNumRefinementIterations(int max_num) | CDPL.ConfGen.StructureGeneratorSettings | |
setMaxNumSampledConformers(int max_num) | CDPL.ConfGen.StructureGeneratorSettings | |
setRefinementTolerance(float tol) | CDPL.ConfGen.StructureGeneratorSettings | |
setTimeout(int mil_secs) | CDPL.ConfGen.StructureGeneratorSettings | |
strictForceFieldParam (defined in CDPL.ConfGen.StructureGeneratorSettings) | CDPL.ConfGen.StructureGeneratorSettings | static |
strictForceFieldParameterization(bool strict) | CDPL.ConfGen.StructureGeneratorSettings | |
strictForceFieldParameterization() | CDPL.ConfGen.StructureGeneratorSettings | |
timeout (defined in CDPL.ConfGen.StructureGeneratorSettings) | CDPL.ConfGen.StructureGeneratorSettings | static |