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class Molecule(Graph), definition of "self.atom2valence"

Open teltim opened this issue 2 years ago • 0 comments

  1. Why "self.atom2valence" is restlicted for several atoms only in the definition?

  2. Why the vakence is not atom2valence = {1: 1, 5: 3, 6: 4, 7: 5, 8: 6, 9: 7, but atom2valence = {1: 1, 5: 3, 6: 4, 7: 3, 8: 2, 9: 1, (in the code) ... ?

teltim avatar Dec 04 '23 02:12 teltim