Add parser for glass transition temperature #13
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…ditions to extract melting point using Tm.
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I got this when I run pytest: |
| @@ -460,6 +469,9 @@ def merge_contextual(self, other): | |||
| for item in self[k]: | |||
| # print('item: %s' % item) | |||
| for other_item in other.get(k, []): | |||
| #RBT Problem with doi: ma301230y. Had to add following check | |||
| if (isinstance(other_item,unicode) == True): | |||
| continue | |||
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Seems this problem occurs when it is attempted to merge the 'contextual' information from a compound record into another one, but the 'contextual' record also happens to contain a name/label/role. This can happen when merging in information from table footnotes or caption - the idea is to merge e.g. a solvent into the property in the table cell that references it. But sometimes there is an actual compound named in the footnote. This fix seems to work well - just ignoring the string-based properties - which are name/label/role. However, unicode is python 2 only - this needs to be six.text_type for python 2 and 3 compatibility. In future, this whole merge_contextual method needs refactoring to be more agnostic of the model schema.
| c.quantum_yields = [QuantumYield(**context)] | ||
| c.fluorescence_lifetimes = [FluorescenceLifetime(**context)] | ||
| c.electrochemical_potentials = [ElectrochemicalPotential(**context)] | ||
| c.uvvis_spectra = [UvvisSpectrum(**context)] |
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Good catch on the missing ** - I forgot to update this when I changed the model objects to accept keyword arguments rather than a single dictionary. The ** unpacks the context dict to be the equivalent of kwargs like solvent='acetonitrile etc.
mcs07
changed the title
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Thanks Matt!!!! I'm really glad to have participated!
…On Thu, Feb 2, 2017 at 4:30 PM, Matt Swain ***@***.***> wrote:
Merged #13 <#13>.
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…ditions to extract melting point using Tm.