OEToolkits 2013.Oct

This is a new release of the OpenEye Toolkits with versions of the following libraries:

OEChem TK

1.9.3

OEBrood TK

0.9.0

OEDepict TK

2.2.1

OEDocking TK

1.2.1

Grapheme TK

1.1.0

GraphSim TK

2.0.6

Grid TK

1.4.4

Lexichem TK

2.3.0

MolProp TK

2.1.7

Omega TK

2.5.3

Quacpac TK

1.6.4

Shape TK

1.9.2

Spicoli TK

1.2.2

Szybki TK

1.7.5

Zap TK

2.1.6

  • Two more important “idiomatic differences” have been added to the Introduction section of the Java Quick Start guide.

    • Calling close is required for any object that provides that method.

    • Explicitly calling delete is recommended on objects from certain libraries.

  • The Java OpenEye toolkits will now allocate memory from the Java heap once again. The Java OpenEye toolkits should not exceed the memory usage specified by the Java -Xmx flag. The problem first appeared in the 2011.Oct release when the JNI_OnLoad symbol was made hidden.

  • Many Java functions and methods that returned iterators are now usable from Java. These methods used to return opaque SWIGTYPE_P_<class_name> objects.

  • A new Java example was added: Picto. This example requires JavaFX 2.2 and Java version 1.7.0.21 or higher. Please refer to the JavaFX 2.2 requirements here. To run this example execute ant picto in the directory that contains the examples jar file.

  • No OpenEye toolkit will call OEErrorHandler.Fatal anymore. All instances have been replaced with OEErrorHandler.Error allowing end-users the ability to control whether programs should exit on error with OEErrorHandler.SetStrict. It is recommended to use OEThrow.SetStrict(false) inside long running services like web servers.