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Set ConformerSites and CrystalformSites tags to hidden by default (issue 1460) #608

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merged 1 commit into from
Jun 17, 2024
Merged

Set ConformerSites and CrystalformSites tags to hidden by default (issue 1460) #608

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2 changes: 1 addition & 1 deletion viewer/fixtures/tagcategories.json
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Original file line number Diff line number Diff line change
Expand Up @@ -22,7 +22,7 @@
"pk": 3,
"fields": {
"category": "CrystalformSites",
"colour": "0099ff",
"colour": "ff9900",
"description": null
}
},
Expand Down
60 changes: 44 additions & 16 deletions viewer/target_loader.py
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Original file line number Diff line number Diff line change
Expand Up @@ -1841,17 +1841,21 @@ def process_bundle(self):
}

# tag site observations
cat_canon = TagCategory.objects.get(category="CanonSites")
for val in canon_site_objects.values(): # pylint: disable=no-member
prefix = val.instance.canon_site_num
tag = canon_name_tag_map.get(val.versioned_key, "UNDEFINED")
so_list = SiteObservation.objects.filter(
canon_site_conf__canon_site=val.instance
)
self._tag_observations(tag, prefix, "CanonSites", so_list)
self._tag_observations(
tag, prefix, category=cat_canon, site_observations=so_list
)

logger.debug("canon_site objects tagged")

numerators = {}
cat_conf = TagCategory.objects.get(category="ConformerSites")
for val in canon_site_conf_objects.values(): # pylint: disable=no-member
if val.instance.canon_site.canon_site_num not in numerators.keys():
numerators[val.instance.canon_site.canon_site_num] = alphanumerator()
Expand All @@ -1866,10 +1870,13 @@ def process_bundle(self):
# site_observations_versioned[k]
# for k in val.index_data["members"]
]
self._tag_observations(tag, prefix, "ConformerSites", so_list)
self._tag_observations(
tag, prefix, category=cat_conf, site_observations=so_list, hidden=True
)

logger.debug("conf_site objects tagged")

cat_quat = TagCategory.objects.get(category="Quatassemblies")
for val in quat_assembly_objects.values(): # pylint: disable=no-member
prefix = f"A{val.instance.assembly_num}"
tag = val.instance.name
Expand All @@ -1878,20 +1885,26 @@ def process_bundle(self):
quat_assembly=val.instance
).values("xtalform")
)
self._tag_observations(tag, prefix, "Quatassemblies", so_list)
self._tag_observations(
tag, prefix, category=cat_quat, site_observations=so_list
)

logger.debug("quat_assembly objects tagged")

cat_xtal = TagCategory.objects.get(category="Crystalforms")
for val in xtalform_objects.values(): # pylint: disable=no-member
prefix = f"F{val.instance.xtalform_num}"
tag = val.instance.name
so_list = SiteObservation.objects.filter(
xtalform_site__xtalform=val.instance
)
self._tag_observations(tag, prefix, "Crystalforms", so_list)
self._tag_observations(
tag, prefix, category=cat_xtal, site_observations=so_list
)

logger.debug("xtalform objects tagged")

cat_xtalsite = TagCategory.objects.get(category="CrystalformSites")
for val in xtalform_sites_objects.values(): # pylint: disable=no-member
prefix = (
f"F{val.instance.xtalform.xtalform_num}"
Expand All @@ -1901,7 +1914,13 @@ def process_bundle(self):
so_list = [
site_observation_objects[k].instance for k in val.index_data["residues"]
]
self._tag_observations(tag, prefix, "CrystalformSites", so_list)
self._tag_observations(
tag,
prefix,
category=cat_xtalsite,
site_observations=so_list,
hidden=True,
)

logger.debug("xtalform_sites objects tagged")

Expand All @@ -1912,7 +1931,7 @@ def process_bundle(self):
self._tag_observations(
"New",
"",
"Other",
TagCategory.objects.get(category="Other"),
[
k.instance
for k in site_observation_objects.values() # pylint: disable=no-member
Expand Down Expand Up @@ -2020,7 +2039,14 @@ def _generate_poses(self):
obvs.pose = pose
obvs.save()

def _tag_observations(self, tag, prefix, category, so_list):
def _tag_observations(
self,
tag: str,
prefix: str,
category: TagCategory,
site_observations: list,
hidden: bool = False,
) -> None:
try:
# memo to self: description is set to tag, but there's
# no fk to tag, instead, tag has a fk to
Expand Down Expand Up @@ -2056,18 +2082,20 @@ def _tag_observations(self, tag, prefix, category, so_list):
# changing anything.
so_tag.mol_group = so_group
except SiteObservationTag.DoesNotExist:
so_tag = SiteObservationTag()
so_tag.tag = tag
so_tag.tag_prefix = prefix
so_tag.upload_name = name
so_tag.category = TagCategory.objects.get(category=category)
so_tag.target = self.target
so_tag.mol_group = so_group
so_tag = SiteObservationTag(
tag=tag,
tag_prefix=prefix,
upload_name=name,
category=category,
target=self.target,
mol_group=so_group,
hidden=hidden,
)

so_tag.save()

so_group.site_observation.add(*so_list)
so_tag.site_observations.add(*so_list)
so_group.site_observation.add(*site_observations)
so_tag.site_observations.add(*site_observations)

def _is_already_uploaded(self, target_created, project_created):
if target_created or project_created:
Expand Down