1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
|
title = 'TEST'
default_columns = ['formula', 'answer', 'kind']
special_keys = [('SELECT', 'kind'),
('BOOL', 'foo'),
('RANGE', 'ans', 'Answer', [('A1', 'answer'),
('B2', 'answer')])]
key_descriptions = {
'kind': ('Type', 'Type of system', ''),
'answer': ('Answer', 'Answer to question', 'eV')}
def xy(row):
import matplotlib.pyplot as plt
ax = plt.figure().add_subplot(111)
ax.plot([0, 1, 2, 3, 0, 1])
plt.savefig('xy.png')
if row.natoms > 1:
ax.plot([2, 2, 2, 3, 3, 3])
plt.savefig('abc.png')
def table(row):
with open('table.csv', 'w') as f:
f.write('# Title\n')
f.write('<a href="/id/{}">link</a>, 27.2, eV\n'
.format(3 - row.id))
stuff = ('Stuff', ['energy', 'fmax', 'charge', 'mass', 'magmom', 'volume'])
things = ('Things', ['answer', 'kind'])
calc = ('Calculator Setting', ['calculator'])
layout = [
('Basic properties',
[[stuff, 'ATOMS'],
[things, 'CELL']]),
('Calculation details',
[[calc, 'FORCES'],
['xy.png', 'abc.png', 'table.csv']])]
|
