source: molecuilder/src/Descriptors/AtomDescriptor.cpp

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Diff Rev Age Author Log Message
(edit) @33bc66   15 years Till Crueger Changed the type of AtomIds and MoleculeIds to an opaque type
(edit) @323177   16 years Till Crueger Rebuilt AtomDescriptors using PIMPL-Idiom and added unittest for …
(edit) @973c03   16 years Till Crueger Improved Descriptor mechanism to allow calculations using descriptors.
(add) @86b917   16 years Till Crueger Added descriptors that allow multiple kinds of access to atoms
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