OEInit2DRingDictionary

bool OEInit2DRingDictionary(oemolistream &ims)
bool OEInit2DRingDictionary(const std::string &filename)

Initializes the global ring dictionary with the ring layouts stored in the given file. After initialization, the user-defined ring layouts will have priority over the built-in ring templates of OEChem TK when calling the OEGenerate2DCoordinates function to generate 2D coordinates.

See also

• OE2DRingDictionary class

• OEIsValid2DRingDictionary function

• OEClear2DRingDictionary function

2D ring dictionary files can be generated with the following programs:

• Example program createringdict.py

• Example program appendringdict.py

The program below shows how to generate 2D coordinates with user-defined ring layouts:

• Example program generate2D.py