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to the current value) (C++/Python) - added absolute/relative AngleConstraints (C++/Python) - added absolute/relative TorsionConstraints (C++/Python) - added PositionConstraints (C++/Python) - exposed fixedPoints from Python - added relevant C++/Python tests - removed a number of redundant "this->" in member functions - moved some getGrad() code into Utils::calcAngleBendGrad and Utils::calcTorsionGrad to avoid repeating the same code for constraints
Instructions for building the RDKit can be found in the file Docs/Book/Install.rst. The online version of the documentation is available here: http://www.rdkit.org/docs/index.html Some information about using the software from Python is in the "Getting Started in Python" document in Docs/Book If you have questions or suggestions, please subscribe to the rdkit-discuss mailing list: http://lists.sourceforge.net/mailman/listinfo/rdkit-discuss Please see the file license.txt for details about the "New BSD" license which covers this software and its associated data and documents. # $Id$ # Copyright (C) 2008-2013 Greg Landrum