epam / epam/Indigo

different reactants order generate different atommap results

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AAM Indigo API Priority: Medium
Dominant language
C++
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134
Avg merge
2d 11h
Merged PRs (30d)
24

Description

different reactants order generate different atommap results,
the code as the following.

```py
from indigo import *
indigo = Indigo()
def addmapbyINDIGO(rxnsmi):
smi = rxnsmi
rxn = indigo.loadReaction(smi)
rxn.automap('discard ignore_charges ignore_isotopes ignore_valence ignore_radicals')
# rxn.automap()

rxnsmi_map_indigo = rxn.smiles()
return rxnsmi_map_indigo
rxnsmi='CCCCOCC1=CCCCO1.[OH-].OO>>CCCCOC[C@@H]2OCCC[C@H]2O'
tem = addmapbyINDIGO(rxnsmi)
rxn = AllChem.ReactionFromSmarts(tem,useSmiles=True)
display(rxn)
rxnsmi='CCCCOCC1=CCCCO1.OO.[OH-]>>CCCCOC[C@@H]2OCCC[C@H]2O'
tem = addmapbyINDIGO(rxnsmi)
rxn = AllChem.ReactionFromSmarts(tem,useSmiles=True)
display(rxn)
```

output:

![图片](https://user-images.githubusercontent.com/7656130/79304162-3c459f00-7f23-11ea-9cf6-1000700b3767.png)

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