Package denoptim.utils

Classes
class	AtomOrganizer
	Tool for re-organizing the list of atoms of an IAtomContainer More...
class	CartesianSpaceUtils
	Utilities for working in the Cartesian space. More...
class	ConnectedLigand
	A ConnectedLigand is just an atom with an explicit field reporting the number of connected atoms. More...
class	ConnectedLigandComparator
	Compare two ConnectedLigand according to the number of connected atoms and the mass number. More...
enum	CrossoverType
	Types of crossover defined. More...
class	DummyAtomHandler
	Toll to add/remove dummy atoms from linearities or multi-hapto sites. More...
class	FormulaUtils
	Utilities for manipulating molecular formulas. More...
class	FormulaUtilsTest
	Unit test for tools manipulating molecular formulae. More...
class	GeneralUtils
	General utilities. More...
class	GenUtilsTest
	Unit test. More...
class	GraphConversionTool
	Tool to convert string into graphs and into molecular representation. More...
class	GraphConversionToolTest
	Unit test for GraphConversionTool. More...
class	GraphEdit
	Definition of a graph editing task. More...
class	GraphUtils
	Utilities for graphs. More...
class	ManySMARTSQuery
	Container of lists of atoms matching a list of SMARTS. More...
class	MathUtils
	Some useful math operations. More...
class	MoleculeUtils
	Utilities for molecule conversion. More...
class	MoleculeUtilsTest
	Unit test for DENOPTIMMoleculeUtils. More...
enum	MutationType
	Types of mutation defined in relation to what happens to the target vertex (i.e., the actual mutation site), and the child vertices, i.e., any vertices reachable by a directed path from the target vertex. More...
class	ObjectPair
	This class is the equivalent of the Pair data structure used in C++ Although AbstractMap.SimpleImmutableEntry<K,V>> is available it does not have a setValue method. More...
class	Randomizer
	Tool to generate random numbers and random decisions. More...
class	RandomizerTest
	Unit test. More...
class	RingClosingUtils
	Toolbox useful when dealing with Ring Closing Attractors and ring closures. More...
class	RotationalSpaceUtils
	Tool box for definition and management of the rotational space, which is given by the list of rotatable bonds. More...
class	RotBndConstraint
	The definition of a constraint applying to rotatable bonds. More...
class	SizeControlledSet
	Class meant to collect unique strings without leading to memory overflow. More...
class	SizeControlledSetTest
	Unit test for SizeControlledSet. More...
class	StatUtils
	Utilities for calculating basic statistics. More...
class	TaskUtils
	Utilities for tasks. More...