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mobiusklein / glypy

Glycan Analysis and Glycoinformatics Library for Python
Apache License 2.0
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Spontaneous Cross-ring cycles #11

Closed mobiusklein closed 9 years ago

mobiusklein commented 9 years ago 
from glypy.tests import common

x = common.load("complex_glycan")

for frag in x.fragments("ABY", 2):
      pass

The source being fragmented will not be identical to the original. A duplicate bond to molecule 15 will form to a previous crossring fragment which did not get cleared.

This may have been formed by overlapping link masks?

mobiusklein commented 9 years ago

Issue appeared be caused by Link.break_link misbehaving as a result of CrossRingFragment.__eq__.