Ipynb idioms: Difference between revisions
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(add note about sets) |
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Line 48: | Line 48: | ||
engineers.add('Marvin') # add element | engineers.add('Marvin') # add element | ||
== working with results== | |||
def getPurchasability(sub_id): | |||
R1 = requests.get(cmd3.format(sub_id)) | |||
purch,cat = R1.text.splitlines()[1].split('\t') | |||
return int(purch),cat | |||
def getPurchasability2(*sub_ids): | |||
R1 = requests.get(cmd4.format(','.join(map(str, sub_ids)))) | |||
data_lines = [line.split('\t') for line in R1.text.splitlines()[1:]] | |||
print data_lines | |||
return [(int(purch), cat) for purch, cat in data_lines] | |||
def to_sub_id(zinc_id): | |||
return int(zinc_id.lower().replace('zinc', '')) | |||
[[Category:webapi]] | [[Category:webapi]] | ||
[[Category:ZINC]] | [[Category:ZINC]] | ||
[[Category:Idioms]] | [[Category:Idioms]] |
Revision as of 03:22, 6 November 2014
These are idioms for iPython Notebooks, also generally python.
top of every ipynb
%matplotlib inline import matplotlib.pyplot as plt import numpy as np import requests import urllib
set up variables for webapi
(hint ask john for credentials)
urlroot = 'http://x.ucsf.bkslab.org:y' format = 'txt'
execute a command, with optional limits
R = requests.get(cmd + '?count=10000') lines = list(R.iter_lines()) print len(lines) print R.text
setup
from rdkit.Chem.Draw import IPythonConsole import rdkit.Chem.Draw as D import rdkit.Chem as C import rdkit.Chem.Descriptors as CD from rdkit.Chem import SmilesMolSupplier
activate zinc api
import zinc.api api=zinc.api.make_api()
Display mols
path = '/nfs/home/jji/ipynb/data/test.smi' mols = SmilesMolSupplier(path, titleLine=False) D.MolsToGridImage( mols, legends=[m.GetProp('_Name') for m in mols])
drill down on mol
s1 =api.substances.get(110341849) [(ci.supplier_code,ci.catalog.name) for ci in s1.catalog_items]
stuff about sets
from sets import Set
https://docs.python.org/2/library/sets.html
employees = engineers | programmers | managers # union engineering_management = engineers & managers # intersection fulltime_management = managers - engineers - programmers # difference engineers.add('Marvin') # add element
working with results
def getPurchasability(sub_id): R1 = requests.get(cmd3.format(sub_id)) purch,cat = R1.text.splitlines()[1].split('\t') return int(purch),cat
def getPurchasability2(*sub_ids): R1 = requests.get(cmd4.format(','.join(map(str, sub_ids)))) data_lines = [line.split('\t') for line in R1.text.splitlines()[1:]] print data_lines return [(int(purch), cat) for purch, cat in data_lines]
def to_sub_id(zinc_id): return int(zinc_id.lower().replace('zinc', ))