Uses of Class
org.openmolecules.chem.conf.gen.RigidFragmentCache
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Packages that use RigidFragmentCache Package Description org.openmolecules.chem.conf.gen -
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Uses of RigidFragmentCache in org.openmolecules.chem.conf.gen
Methods in org.openmolecules.chem.conf.gen that return RigidFragmentCache Modifier and Type Method Description static RigidFragmentCache
RigidFragmentCache. createCache(java.lang.String[] inputFileNames, java.lang.String outputDirectory, int threadCount, boolean optimizeFragments, int maxCompoundsPerFile, RigidFragmentProvider rfp)
This is a helper method to generate a custom cache and optionally a set of cache files from one or more compound files.static RigidFragmentCache
RigidFragmentCache. createInstance(java.lang.String cacheFileName)
static RigidFragmentCache
RigidFragmentCache. getDefaultInstance()
Methods in org.openmolecules.chem.conf.gen with parameters of type RigidFragmentCache Modifier and Type Method Description void
RigidFragmentProvider. setCache(RigidFragmentCache cache)
Constructors in org.openmolecules.chem.conf.gen with parameters of type RigidFragmentCache Constructor Description ConformerGenerator(long seed, RigidFragmentCache cache, boolean optimizeRigidFragments)
Instantiates a ConformerGenerator for creating reproducible conformers unless seed is 0L.RigidFragmentProvider(long randomSeed, RigidFragmentCache cache, boolean optimizeRigidFragments)
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