Package | Description |
---|---|
org.openscience.cdk.hash |
Modifier and Type | Method and Description |
---|---|
HashGeneratorMaker |
HashGeneratorMaker.charged()
Discriminate protonation states.
|
HashGeneratorMaker |
HashGeneratorMaker.chiral()
Generate different hash codes for stereoisomers.
|
HashGeneratorMaker |
HashGeneratorMaker.depth(int depth)
Specify the depth of the hash generator.
|
HashGeneratorMaker |
HashGeneratorMaker.elemental()
Discriminate elements.
|
HashGeneratorMaker |
HashGeneratorMaker.encode(AtomEncoder encoder)
Add a custom encoder to the hash generator which will be built.
|
HashGeneratorMaker |
HashGeneratorMaker.isotopic()
Discriminate isotopes.
|
HashGeneratorMaker |
HashGeneratorMaker.orbital()
Discriminate atomic orbitals.
|
HashGeneratorMaker |
HashGeneratorMaker.perturbed()
Discriminate atoms experiencing uniform environments.
|
HashGeneratorMaker |
HashGeneratorMaker.radical()
Discriminate free radicals.
|
HashGeneratorMaker |
HashGeneratorMaker.suppressHydrogens()
Suppress any explicit hydrogens in the encoding of hash values.
|
Copyright © 2021. All rights reserved.