Chemical Data Processing Library Python API - Version 1.1.1
CDPL.Chem.SpatialAtomAlignment Member List

This is the complete list of members for CDPL.Chem.SpatialAtomAlignment, including all inherited members.

__init__()CDPL.Chem.SpatialAtomAlignment
__init__(SpatialAtomAlignment alignment)CDPL.Chem.SpatialAtomAlignment
addEntity(Atom entity, bool first_set)CDPL.Chem.SpatialAtomAlignment
assign(SpatialAtomAlignment alignment)CDPL.Chem.SpatialAtomAlignment
clearEntities(bool first_set)CDPL.Chem.SpatialAtomAlignment
entityCoordsFunction (defined in CDPL.Chem.SpatialAtomAlignment)CDPL.Chem.SpatialAtomAlignmentstatic
entityMatchFunction (defined in CDPL.Chem.SpatialAtomAlignment)CDPL.Chem.SpatialAtomAlignmentstatic
entityPairMatchFunction (defined in CDPL.Chem.SpatialAtomAlignment)CDPL.Chem.SpatialAtomAlignmentstatic
entityWeightFunction (defined in CDPL.Chem.SpatialAtomAlignment)CDPL.Chem.SpatialAtomAlignmentstatic
exhaustiveSearch (defined in CDPL.Chem.SpatialAtomAlignment)CDPL.Chem.SpatialAtomAlignmentstatic
exhaustiveSearchPerformed()CDPL.Chem.SpatialAtomAlignment
getEntities(bool first_set)CDPL.Chem.SpatialAtomAlignment
getEntity(int idx, bool first_set)CDPL.Chem.SpatialAtomAlignment
getEntity3DCoordinatesFunction()CDPL.Chem.SpatialAtomAlignment
getEntityMatchFunction()CDPL.Chem.SpatialAtomAlignment
getEntityPairMatchFunction()CDPL.Chem.SpatialAtomAlignment
getEntityWeightFunction()CDPL.Chem.SpatialAtomAlignment
getMinTopologicalMappingSize()CDPL.Chem.SpatialAtomAlignment
getNumEntities(bool first_set)CDPL.Chem.SpatialAtomAlignment
getObjectID()CDPL.Chem.SpatialAtomAlignment
getTopAlignmentConstraintFunction()CDPL.Chem.SpatialAtomAlignment
getTopologicalMapping()CDPL.Chem.SpatialAtomAlignment
getTransform()CDPL.Chem.SpatialAtomAlignment
minTopologicalMappingSize (defined in CDPL.Chem.SpatialAtomAlignment)CDPL.Chem.SpatialAtomAlignmentstatic
nextAlignment()CDPL.Chem.SpatialAtomAlignment
objectID (defined in CDPL.Chem.SpatialAtomAlignment)CDPL.Chem.SpatialAtomAlignmentstatic
performExhaustiveSearch(bool exhaustive)CDPL.Chem.SpatialAtomAlignment
reset()CDPL.Chem.SpatialAtomAlignment
setEntity3DCoordinatesFunction(Atom3DCoordinatesFunction func)CDPL.Chem.SpatialAtomAlignment
setEntityMatchFunction(ForceField.InteractionFilterFunction2 func)CDPL.Chem.SpatialAtomAlignment
setEntityPairMatchFunction(ForceField.InteractionFilterFunction4 func)CDPL.Chem.SpatialAtomAlignment
setEntityWeightFunction(ForceField.MMFF94AtomChargeFunction func)CDPL.Chem.SpatialAtomAlignment
setMinTopologicalMappingSize(int min_size)CDPL.Chem.SpatialAtomAlignment
setTopAlignmentConstraintFunction(BoolSTPairArrayFunctor func)CDPL.Chem.SpatialAtomAlignment
topAlignmentConstraintFunction (defined in CDPL.Chem.SpatialAtomAlignment)CDPL.Chem.SpatialAtomAlignmentstatic
topMapping (defined in CDPL.Chem.SpatialAtomAlignment)CDPL.Chem.SpatialAtomAlignmentstatic
transform (defined in CDPL.Chem.SpatialAtomAlignment)CDPL.Chem.SpatialAtomAlignmentstatic