| import sys, json, pandas as pd |
| from mpclient import Rest |
| W=sys.argv[1]; r=Rest(W+"/api_cache") |
| ids=sorted(pd.read_parquet(W+"/mp_vs_thermo.parquet").immutable_id.unique()) |
| out={} |
| F="material_id,task_ids,task_types,calc_types,run_types,deprecated_tasks,deprecated,origins,nsites,volume,elements,formula_pretty" |
| for dep in ("false","true"): |
| todo=[i for i in ids if i not in out] |
| for s in range(0,len(todo),500): |
| b=todo[s:s+500] |
| d=r.get("/materials/core/",{"material_ids":",".join(b),"deprecated":dep,"id_format":"legacy","_fields":F,"_limit":1000}) |
| for x in d["data"]: out[x["material_id"]]=x |
| if s%20000==0: print(dep,s,len(todo),len(out),flush=True) |
| print("resolved",len(out),"of",len(ids)) |
| json.dump(list(out.values()), open(W+"/core_lemat.json","w")) |
|
|
