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3.7.6 OEAbsCanonicalConfTest 

class OEAbsCanonicalConfTest : public OEConfTest

This implementation of OEConfTest combines subsequent connection tables into a multi-conformer molecule if they:

  1. Have the same absolute (non-isomeric) graph

This conformer test puts all of the molecules in their canonical atom order. In addition, all fully specified isomeric values are set to UNDEFINED.

Previous Page Up One Level Next Page OEChem - API Manual
Version 1.3.1
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Previous: 3.7.5 OEAbsoluteConfTest Up: 3.7 OEConfTest Next: 3.8 OEEuler
Documentation released on July 30, 2004.