increased ceramic detection MP to 1000 C ... just in case
Browse files
exposure_module/exposure.py
CHANGED
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@@ -62,7 +62,7 @@ def exp_post():
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cas=cas, smiles=smiles, molImage=molImage,
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LogP_origin=LogP_origin, rho_origin=rho_origin, mp_origin=mp_origin)
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else:
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-
if (type(mp) is float or type(mp) is int) and mp >
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| 66 |
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# more than one atom, or carbon -> assumed ceramic
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# TODO say something about what we're doing on report? (e.g. 'detected ceramic, setting MW = 1100')
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cas=cas, smiles=smiles, molImage=molImage,
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LogP_origin=LogP_origin, rho_origin=rho_origin, mp_origin=mp_origin)
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else:
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+
if (type(mp) is float or type(mp) is int) and mp > 1000.:
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| 66 |
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# more than one atom, or carbon -> assumed ceramic
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# TODO say something about what we're doing on report? (e.g. 'detected ceramic, setting MW = 1100')
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