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inchi and key mixup in VALD
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nodes/vald/node_atom/dictionaries.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -102,7 +102,7 @@
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'AtomMassNumber':'species__massno',
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'AtomNuclearCharge':'species__atomic',
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'IonCharge':'species__ion',
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'InchiKey':'species__inchi',
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'Inchi':'species__inchi',
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'InchiKey':'species__inchikey',
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'StateEnergy':bothStates,
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'Lower.StateEnergy':'lostate__energy',

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