|
Class Summary |
| ChemFileUtils |
A collection of static methods to return an array of Nodes from
various commonly used file formats, so far only MDL Mol files and
SMILES strings |
| DataStructureTools |
|
| DPoint |
A point with two double precision coordinates |
| Edge |
|
| Element |
Elemement.java
Used to store data of a particular Element |
| IsomorphismTester |
|
| Isotope |
Isotope.java
Used to store data of a particular isotope |
| LIFOQueue |
A LIFO queue for result structures. |
| MFAnalyser |
MFAnalyser.java
Analyses a molecular formula given in String format and builds set
of org.openscience.compchem.Node's reflecting the elements as given
by the molecular formula. |
| Node |
Node.java
An atom in the chemical graph represented by number,
chemical symbol and some other attributes |
| Queue |
Implementation of a Queue (FIFO stack) |
| Ring |
Ring.java A collection of nodes that make up a ring |
| setOfRings |
Implementation of a set of Rings. |
| SetOfRingsFinder |
|
| Sorter |
|
| StandardElements |
StandardsIsotopes.java
Used to store data of a particular isotope |
| StandardIsotopes |
StandardsIsotopes.java
Used to store data of a particular isotope |