Uses of Class
org.openmolecules.chem.conf.gen.RigidFragment
-
Packages that use RigidFragment Package Description org.openmolecules.chem.conf.gen -
-
Uses of RigidFragment in org.openmolecules.chem.conf.gen
Fields in org.openmolecules.chem.conf.gen declared as RigidFragment Modifier and Type Field Description protected RigidFragment[]
TorsionSetStrategy. mRigidFragment
Methods in org.openmolecules.chem.conf.gen that return RigidFragment Modifier and Type Method Description RigidFragment
RigidFragmentProvider. createFragment(StereoMolecule mol, int[] fragmentNo, int fragmentIndex)
RigidFragment
RotatableBond. getFragment(int i)
Constructors in org.openmolecules.chem.conf.gen with parameters of type RigidFragment Constructor Description RotatableBond(StereoMolecule mol, int bond, int[] fragmentNo, int[] disconnectedFragmentNo, int disconnectedFragmentSize, RigidFragment[] fragment, java.util.Random random)
RotatableBond(StereoMolecule mol, int bond, int[] fragmentNo, int[] disconnectedFragmentNo, int disconnectedFragmentSize, RigidFragment[] fragment, java.util.Random random, boolean use60degreeSteps)
TorsionSetStrategy(RotatableBond[] rotatableBond, RigidFragment[] fragment)
TorsionSetStrategyAdaptiveRandom(RotatableBond[] rotatableBond, RigidFragment[] fragment, boolean preferLikelyTorsions, boolean startWithMostProbable, long seed)
This torsion set strategy produces random sets of torsion indices until a torsion set collides.TorsionSetStrategyLikelySystematic(RotatableBond[] rotatableBond, RigidFragment[] fragment)
TorsionSetStrategyRandom(RotatableBond[] rotatableBond, RigidFragment[] fragment, boolean preferLikelyTorsions, long seed)
This simple TorsionSetStrategy produces random sets of torsion indexes in a loop.
-