Name | Description | Type | Package | Framework |
BadMatrixFormatException | Class | org.openscience.cdk.graph.invariant.exception | CDK | |
CanonicalLabeler | Canonically labels an atom container implementing the algorithm published in David Weininger et. | Class | org.openscience.cdk.graph.invariant | CDK |
ConjugatedPiSystemsDetector | Class | org.openscience.cdk.graph.invariant | CDK | |
EquivalentClassPartitioner | An algorithm for topological symmetry. | Class | org.openscience.cdk.graph.invariant | CDK |
GIMatrix | This class is intended to provide the user an efficient way of implementing matrix of double number and using normal operations (linear operations, addition, substraction, multiplication, inversion, concatenation) | Class | org.openscience.cdk.graph.invariant | CDK |
HuLuIndexTool | Class | org.openscience.cdk.graph.invariant | CDK | |
InChINumbersTools | Tool for calculating atom numbers using the InChI algorithm. | Class | org.openscience.cdk.graph.invariant | CDK |
IndexOutOfBoundsException | Class | org.openscience.cdk.graph.invariant.exception | CDK | |
MatrixNotInvertibleException | Class | org.openscience.cdk.graph.invariant.exception | CDK | |
MorganNumbersTools | Tool for calculating Morgan numbers . | Class | org.openscience.cdk.graph.invariant | CDK |