emanuele/eXParser-PLD
SHA256
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases 2 Wiki Activity

quality improvements

Browse Source 
API key prompt is now "echo on" - echo off was useless given the context
sample name gets trimmed so only STD-ID is preserved in the filename
filename now contains technique (PLD) and ends in .nxs
all should be right in the world - and nffa-di data research policy
  compliant, spec.lly sect. 3.1.7-3.1.9
This commit is contained in:
Emanuele D'Amico
2026-05-14 17:21:07 +02:00
parent e1d5dfa487
commit 1ce381f341
1 changed files with 9 additions and 5 deletions
Download Patch File Download Diff File Expand all files Collapse all files

14
src/main.py
View File

@@ -871,7 +871,7 @@ def build_nexus_file(pld_fabrication, output_path="output/nffa-di_unnamed.h5"):
if __name__ == "__main__": if __name__ == "__main__":
load_dotenv() load_dotenv()
api_key = os.getenv("api_key") or getpass("Paste API key here: ") api_key = os.getenv("api_key") or getpass("Paste API key here: ", echo_char="*")
elabid = ( elabid = (
os.getenv("elabid") os.getenv("elabid")
or input("Enter elabid of your starting sample [default = 1111]: ") or input("Enter elabid of your starting sample [default = 1111]: ")
@@ -880,8 +880,12 @@ if __name__ == "__main__":
handler = APIHandler(api_key) handler = APIHandler(api_key)
data = handler.get_entry_from_elabid(elabid) data = handler.get_entry_from_elabid(elabid)
sample = Entrypoint(data) sample = Entrypoint(data)
sample_name = sample.name.strip().replace(" ", "_") sample_name = sample.name.strip().replace(
" ", "-"
) # returns error if no "title" or title is not str
operative_unit = os.getenv("operative_unit") or None operative_unit = os.getenv("operative_unit") or None
if operative_unit:
operative_unit = operative_unit.strip().replace(" ", "-")
if sample.proposal: if sample.proposal:
sample_proposal = call_proposal_from_elabid(sample.proposal) sample_proposal = call_proposal_from_elabid(sample.proposal)
else: else:
@@ -894,12 +898,12 @@ if __name__ == "__main__":
"nffa-di_" "nffa-di_"
+ (f"{sample_proposal}_" if sample_proposal else "") + (f"{sample_proposal}_" if sample_proposal else "")
+ (f"{operative_unit}_" if operative_unit else "") + (f"{operative_unit}_" if operative_unit else "")
+ "_" + "PLD_"
+ sample_name + sample_name[:9]
) )
result = make_nexus_schema_dictionary(substrate_object, layers) result = make_nexus_schema_dictionary(substrate_object, layers)
with open(f"output/{fn_base}.json", "w") as f: with open(f"output/{fn_base}.json", "w") as f:
json.dump(result, f, indent=3) json.dump(result, f, indent=3)
build_nexus_file(result, output_path=f"output/{fn_base}.h5") build_nexus_file(result, output_path=f"output/{fn_base}.nxs")