Code

Maint#33

Code

Merged

fgrunewald merged 10 commits intomastergruenewald-lab/CGsmiles:masterfrom maintgruenewald-lab/CGsmiles:maintCopy head branch name to clipboardNov 21, 2024

+85-10

Commits

Commits on Nov 20, 2024

• allow bonding after branch

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  committed
  ef776b2

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• add tests

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  04c01b5

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• clear bond orders correclty

  fgrunewald

  committed
  ff51950

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• add tests for multiple bonding descriptors each having a bond order different from 1

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  committed
  a083eb6

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Commits on Nov 21, 2024

• adjust hcount by bonding op number if required

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  committed
  354aba2

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• set atomnames also for meta-graph if one is provided

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  committed
  4624f52

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• remove double atomname assignment in resolve

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  committed
  715e1bc

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• tests and account for bond order

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  committed
  b36f0fc

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• remove leftovers

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  48051a1

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• add test

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  6a11252

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