Commit 4e36caa1 authored by Daria M. Tomecka's avatar Daria M. Tomecka

add to the normalizer new section "prototype" and two aflow metadata (id and url)

parent 9545b727
......@@ -227,7 +227,9 @@ def classify_by_norm_wyckoff(sectionSystem):
#else:
#proto = '%d-%s' % (spg_nr, protoDict)
proto = '%d-%s-%s' % (spg_nr, protoDict.get("Prototype","-"),protoDict.get("Pearsons Symbol","-"))
return proto
aflow_prototype_id = protoDict.get("aflow_prototype_id","-")
aflow_prototype_url = protoDict.get("aflow_prototype_url","-")
return {"prototype_label":proto, "prototype_aflow_id":aflow_prototype_id, "prototype_aflow_url":aflow_prototype_url}
except:
#logging.exception("failure while computing for %r",json_file_name)
logging.exception("failure while computing for that example")
......@@ -261,11 +263,24 @@ def main():
sectSys = dictReader.readNextDict()
if sectSys is None:
break
try:
label = classify_by_norm_wyckoff(sectSys)
if label:
labels = classify_by_norm_wyckoff(sectSys)
if labels:
backend.openContext(sectSys['uri'])
backend.addValue("prototype_label", label)
pSect = backend.openSection("section_prototype")
backend.addValue("prototype_assignement_method", "normalized-wyckoff")
backend.addValue("prototype_label", labels['prototype_label'])
backend.addValue("prototype_aflow_id", labels["prototype_aflow_id"])
backend.addValue("prototype_aflow_url", labels["prototype_aflow_url"])
backend.closeSection("section_prototype", pSect)
# backend.addValue("prototype_aflow_id", aflow_prototype_id)
# backend.addValue("prototype_aflow_url", aflow_prototype_url)
# if "aflow_prototype_url" in sectSys:
# backend.addValue("prototype_aflow_url",sectSys["aflow_prototype_url"])
backend.closeContext(sectSys['uri'])
sys.stdout.flush()
except:
......
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