blokhin

import os, sys
import httplib2
import base64


endpoint_meta = 'https://test.datacite.org/mds/metadata?testMode=0'
endpoint_mint = 'https://test.datacite.org/mds/doi?testMode=0'
login = '<login here>'
password = '<pass here>'

blokhin

Engine	Version	Codebase size (GZIP in brackets)	Rendering method	Customization	License
JSmol	14.2.15	2.1 MB (700 KB)	canvas	rich, scripting, in UI	LGPL
ChemDoodle Web Components	7.0.1	354 KB (121 KB)	WebGL	rich, API	GPL v3
RasmolJS	-	1.1 MB (462 KB)	canvas, SDL, asm.js	rich, scripting	GPL
Player.html	0.13.5	284 KB (84 KB)	canvas, Three.js	limited, in UI	MIT

blokhin

import rdflib
from RDFClosure import DeductiveClosure, OWLRL_Extension
g = rdflib.Graph()
g.parse("tsar_family.ttl", format="turtle")
DeductiveClosure(OWLRL_Extension).expand(g)
print g.serialize(format="turtle")

blokhin

Formula (per cell)	Band gap, eV	Master output
Rh5(1)	0.04	espresso-4.1.1/examples/CLS_FS_example/reference/rh011surf.scf.out
Al5H(1)	0.14	espresso-4.1.1/examples/example12/reference/AlwireH.scf.out
As2(1)	0.25	espresso-5.1.1/PW/tests/vc-relax3.ref
Ni slab(1)	0.29	espresso-4.1.1/examples/dipole_example/reference/ni+co.scf.out
Rh slab(1)	0.3	espresso-4.1.1/examples/CLS_IS_example/reference/rh011slab.scf.out
Ge2(1)	0.44	espresso-5.1.1/PW/tests/paw-vcbfgs.ref
Pt4(1)	0.53	espresso-4.1.1/examples/example22/reference/pt4.out
SnO2(2)	0.61	rutile-OER-master/supporting-data/SnO2/ground/ground.o255939

blokhin

SELECT nspname || '.' || relname AS "relation",
pg_size_pretty(pg_relation_size(C.oid)) AS "size"
FROM pg_class C
LEFT JOIN pg_namespace N ON (N.oid = C.relnamespace)
WHERE nspname NOT IN ('pg_catalog', 'information_schema')
ORDER BY pg_relation_size(C.oid) DESC
LIMIT 20;

blokhin

SELECT nspname || '.' || relname AS "relation",
pg_size_pretty(pg_total_relation_size(C.oid)) AS "total_size"
FROM pg_class C
LEFT JOIN pg_namespace N ON (N.oid = C.relnamespace)
WHERE nspname NOT IN ('pg_catalog', 'information_schema')
AND C.relkind <> 'i'
AND nspname !~ '^pg_toast'
ORDER BY pg_total_relation_size(C.oid) DESC
LIMIT 20;

blokhin

WITH constants AS (
  SELECT current_setting('block_size')::numeric AS bs, 23 AS hdr, 4 AS ma
), bloat_info AS (
  SELECT
    ma,bs,schemaname,tablename,
    (datawidth+(hdr+ma-(case when hdr%ma=0 THEN ma ELSE hdr%ma END)))::numeric AS datahdr,
    (maxfracsum*(nullhdr+ma-(case when nullhdr%ma=0 THEN ma ELSE nullhdr%ma END))) AS nullhdr2
  FROM (
    SELECT
      schemaname, tablename, hdr, ma, bs,

blokhin

SELECT
    t.tablename,
    indexname,
    c.reltuples AS num_rows,
    pg_size_pretty(pg_relation_size(quote_ident(t.tablename)::text)) AS table_size,
    pg_size_pretty(pg_relation_size(quote_ident(indexrelname)::text)) AS index_size,
    CASE WHEN x.is_unique = 1  THEN 'Y'
       ELSE 'N'
    END AS UNIQUE,
    idx_scan AS number_of_scans,

blokhin

import sys
import ujson as json
from jsonschema import validate, Draft3Validator

try: f, t = sys.argv[1], sys.argv[2]
except IndexError: sys.exit("Usage: schema input_JSON")

schema = json.loads(open(f).read())
Draft3Validator.check_schema(schema)

blokhin

#!/usr/bin/env python

from urllib import urlencode
import httplib2
import json


api_key = "" # your key
endpoint = "https://api.mpds.io/v0/download/facet"
search = {