Uses of Class
org.openmolecules.chem.conf.so.SelfOrganizedConformer

Packages that use SelfOrganizedConformer

Package	Description
org.openmolecules.chem.conf.so

Uses of SelfOrganizedConformer in org.openmolecules.chem.conf.so

Methods in org.openmolecules.chem.conf.so that return SelfOrganizedConformer

Modifier and Type	Method	Description
SelfOrganizedConformer	ConformationSelfOrganizer.generateOneConformer(long randomSeed)	Generates the coordinates for one conformer in the calling thread.
SelfOrganizedConformer	ConformationSelfOrganizer.getNextConformer()	Picks a new conformer from the conformer pool created by initializeConformers().

Methods in org.openmolecules.chem.conf.so with parameters of type SelfOrganizedConformer

Modifier and Type	Method	Description
boolean	ConformationSelfOrganizer.disableCollidingTorsionRules(SelfOrganizedConformer conformer)
boolean	TorsionRule.disableIfColliding(SelfOrganizedConformer conformer)
boolean	SelfOrganizedConformer.equals(SelfOrganizedConformer conformer)	Returns true, if none of the torsion angles between both conformers are more different than TorsionDescriptor.TORSION_EQUIVALENCE_TOLERANCE; Calling this method requires that calculateDescriptor() has been called earlier.
boolean	SelfOrganizedConformer.isWorseThan(SelfOrganizedConformer conformer)	Checks whether the total strain of this Conformer is larger than that of conformer, assuming that the calculated strain values are up-to-date.
boolean	ConformationSelfOrganizer.optimize(SelfOrganizedConformer conformer, int cycles, double startFactor, double factorReduction)