mirror of
https://github.com/triqs/dft_tools
synced 2024-06-02 03:15:33 +02:00
f07afa50ff
To make it work one has to create a symlink in 'dft/converters/plovasp' pointing to the built library 'atm.so'. Also, one has to use 'from <modulename> import <function>' inside the test itself to avoid problems with module name substitutions.
39 lines
960 B
Python
39 lines
960 B
Python
|
|
import os
|
|
|
|
import numpy as np
|
|
from pytriqs.applications.dft.converters.plovasp.atm import dos_tetra_weights_3d
|
|
import mytest
|
|
|
|
################################################################################
|
|
#
|
|
# TestProjectorShell
|
|
#
|
|
################################################################################
|
|
class TestProjectorShell(mytest.MyTestCase):
|
|
"""
|
|
Class:
|
|
|
|
ProjectorShell(sh_pars, proj_raw)
|
|
|
|
Scenarios:
|
|
- **if** a correct input is given **compare** output arrays
|
|
"""
|
|
# Scenario 1
|
|
def test_example(self):
|
|
eigs = np.array([-1.5, -1.309017, -1.0, -0.5])
|
|
en = -0.55
|
|
itt = np.array([[1, 0, 1, 2, 3]]).T
|
|
|
|
res = dos_tetra_weights_3d(eigs, en, itt)[:, 0]
|
|
|
|
r_should = np.zeros(4)
|
|
r_should[0] = 0.000309016992226;
|
|
r_should[1] = 0.000381966005939;
|
|
r_should[2] = 0.000618033984453;
|
|
r_should[3] = 0.017232002550965;
|
|
|
|
self.assertEqual(res, r_should)
|
|
|
|
|