@db2021 db2021
db2021
@db2021 db2021 / placeholder.py Created at Thu Dec 02 22:18:13 JST 2021
Cassandraのpython driverでプレースフォルダを使うときの書き方の例
session.execute("INSERT INTO foo (bar) VALUES (%s)", "blah")  # エラー
session.execute("INSERT INTO foo (bar) VALUES (%s)", ("blah"))  # エラー
session.execute("INSERT INTO foo (bar) VALUES (%s)", ("blah", ))  # OK
session.execute("INSERT INTO foo (bar) VALUES (%s)", ["blah"])  # OK
@db2021 db2021 / test_table.cql Created at Fri Oct 29 16:09:09 JST 2021
JSON形式でINSERT (expのCassandraデータ型をmapにした場合)
CREATE TABLE odordb.test_table (
id int PRIMARY KEY,
exp map<text,double>
);

INSERT INTO odordb.test_table JSON '{"id":1,
"exp": {
"EDIBLE": 10.5,
"BAKERY": 0.0,
"SWEET": 0.0,
@db2021 db2021 / table2.py(未完成) Created at Thu Oct 28 00:58:34 JST 2021
table2
from cassandra.cluster import Cluster
from cassandra.query import dict_factory
import pubchempy as pup
import os
import time


# cluster = Cluster(['127.0.0.1'])
# session = cluster.connect()
# session.row_factory = dict_factory
@db2021 db2021 / to gau.py Created at Fri Oct 22 16:48:16 JST 2021
import subprocess
import os


# try:
#     cmd=["mkdir","inserted"]
#     subprocess.run(cmd)
# except:
#     print("file has registed.")
@db2021 db2021 / select_json.cql Created at Mon Jul 19 18:01:53 JST 2021
CQLのSELECT で JSONを利用した例
SELECT JSON * FROM "user_status_updates_by_datetime"
WHERE "usernamne" = 'alice'
AND status_date > '2016-11-20';
@db2021 db2021 / insert_json.cql Created at Mon Jul 19 17:47:24 JST 2021
CQL で JSON形式のデータをINSERTする例
CREATE TABLE my_status.user_status_updates_by_datetime (
username text,
status_date date,
status_time time,
body text,
PRIMARY KEY (username, status_date, status_time) );

INSERT INTO "user_status_updates_by_datetime"
JSON '{"username": "alice", "status_date": "2016-11-24", "status_time": "13:35:20.123456", "body": "Alice Update 7"}';
@db2021 db2021 / rung16.sh Created at Mon Jul 19 16:49:33 JST 2021
BABEL_DIR 内のcomファイル全てをGaussianで走らせてlogファイル作成 (Grid Engine利用)
#!/bin/bash
IFS_BACKUP=$IFS
IFS=$'\n'
BABEL_DIR=babel.am1

cd $BABEL_DIR

if [ ! -d ./output ]; then
mkdir output
fi
@db2021 db2021 / rung16.sh Created at Mon Jul 05 16:16:12 JST 2021
Grid Engineでg16を走らせる
#! /bin/bash
for job in $@
do
echo "#$ -S /bin/bash" > $job.sh
echo "#$ -N $job" >> $job.sh
echo "#$ -e /dev/null" >> $job.sh
echo "#$ -o /dev/null" >> $job.sh
chmod +x $job.sh
echo 'export g16root=/usr/local' >> $job.sh
echo "export GAUSS_SCRDIR=/tmp" >> $job.sh
@db2021 db2021 / がうしゃん Created at Sat Jul 03 19:18:33 JST 2021
がうしゃんへTime+UUIDを混ぜて投げるやつ。まだβ版。とりあえずで分子名+UUID+時間情報をアクティブにしてるけど、UUID+時間情報でもおk。
import subprocess
import os
from datetime import datetime,timedelta,timezone
import uuid
import pickle
import random



@db2021 db2021 / Python 分子式抜き出し Created at Wed Jun 23 14:49:21 JST 2021
import pubchempy as pup
import os
import time


element = []
files =os.listdir("./output")
element_z = [f for f in files if os.path.isfile(os.path.join("./output", f))]

for i in element_z: