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1 parent 417b2af commit 1e79b51Copy full SHA for 1e79b51
rmgpy/molecule/translator.py
@@ -90,7 +90,6 @@
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MOLECULE_LOOKUPS = {
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'N2': 'N#N',
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'CH4': 'C',
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- 'CH2O': 'C=O',
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'H2O': 'O',
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'C2H6': 'CC',
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'H2': '[H][H]',
@@ -99,12 +98,10 @@
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'Ar': '[Ar]',
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'He': '[He]',
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'CH4O': 'CO',
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- 'CO2': 'O=C=O',
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'CO': '[C-]#[O+]',
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'O2': 'O=O',
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'C': '[C]', # for this to be in the "molecule" list it must be singlet with 2 lone pairs
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'H2S': 'S',
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- 'N2O': 'N#[N+][O-]',
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'NH3': 'N',
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'O3': '[O-][O+]=O',
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'Cl2': '[Cl][Cl]',
@@ -132,7 +129,6 @@
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'H2N': '[NH2]',
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'HN': '[NH]',
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'NO': '[N]=O',
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- 'NO2': 'N(=O)[O]',
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'Cl': '[Cl]',
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'I': '[I]',
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}
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