forked from enviPath/enviPy
Implemented Reaction Page (#5)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch> Reviewed-on: enviPath/enviPy#5
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@ -612,6 +612,19 @@ class Reaction(EnviPathModel, AliasMixin, ScenarioMixin):
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r.save()
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return r
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def smirks(self):
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return f"{'.'.join([cs.smiles for cs in self.educts.all()])}>>{'.'.join([cs.smiles for cs in self.products.all()])}"
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@property
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def as_svg(self):
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return IndigoUtils.smirks_to_svg(self.smirks(), False, width=800, height=400)
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@property
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def related_pathways(self):
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return Pathway.objects.filter(
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id__in=Edge.objects.filter(edge_label=self).values('pathway_id')).order_by('name')
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class Pathway(EnviPathModel, AliasMixin, ScenarioMixin):
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package = models.ForeignKey('epdb.Package', verbose_name='Package', on_delete=models.CASCADE, db_index=True)
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