1. Java

Java is the third programming language supported by OEChem. Like Python, the Java version of OEChem is a JNI (Java Native Interface) wrapper created using SWIG. Using SWIG allows a Java class hierachy and API that mirrors both the C++ and Python API.

It is important to note that this is not a new version of OEChem written in Java nor is it a Java interpretation of the OEChem API, but a rather faithful reproduction of the OEChem API in Java. As such there are some features that might not be as Java-like as a toolkit written entirely in Java, but most of these are minor issues and consistency with the C++ and Python makes translation from one to another relatively easy and greatly enhances our ability to support all three versions.

A few of these idiomatic differences include:

There are relatively few classes in OEChem and they have a rather shallow inheritance hierarchy.
Most OEChem algorithms are in C++ free functions. These are mapped to static methods in the class oechem.
Method names in almost all OEChem classes start with uppercase letters.
Java doesn't support operator overloading, so C++ operators are mapped to methods. For example, operator bool() is mapped to a member function called IsValid(), operator() is mapped to call() and operator() const is mapped to constCall().
Java doesn't support direct access to class attributes, so for some simple C++ classes and structs, direct access is mapped to a get/set pair of functions.

A Java version of OEChem allows integration of OEChem into Java desktop and server-side applications. However, Java-OEChem is not necessarily suited for applet programming since it requires native code and platform-specific shared libraries.

Subsections

				OEChem - Java Theory Manual

				OEChem - Java Theory Manual