physics/pysuperconductor
2
0
Fork 0
Code Issues Pull Requests 1 Projects Releases Wiki Activity

Removes warnings from overflow and from scipy bug
All checks were successful
gitea-physics/pysuperconductor/pipeline/head This commit looks good
Details

Browse Source
This commit is contained in:
Deepak Mallubhotla 2020-11-24 18:45:44 -06:00
parent 3cda66441e
commit 54917655cd
2 changed files with 23 additions and 12 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

12
pysuperconductor/os_gap_calc.py
View File

@ -2,6 +2,7 @@ import numpy # type: ignore
import scipy.integrate as integrate # type: ignore import scipy.integrate as integrate # type: ignore
import scipy.optimize # type: ignore import scipy.optimize # type: ignore
import logging import logging
import warnings
from typing import Tuple from typing import Tuple
@ -69,8 +70,10 @@ def n_integral(temp: float, delta: float, mu_star: float) -> float:
return n_integrand_function(xi, temp, delta, mu_star) return n_integrand_function(xi, temp, delta, mu_star)
intermediate = 20 * numpy.sqrt(delta ** 2 + mu_star ** 2) intermediate = 20 * numpy.sqrt(delta ** 2 + mu_star ** 2)
lower = integrate.quad(integrand, 0, intermediate)[0] lower = integrate.quad(integrand, 0, intermediate)[0]
upper = integrate.quad(integrand, intermediate, numpy.inf)[0] # upper = integrate.quad(integrand, intermediate, numpy.inf)[0]
return lower + upper # This upper portion of the integral will typically be completely
# negligible, because we're 20x the relevant scale here.
return lower
def find_gap_for_n( def find_gap_for_n(
@ -81,6 +84,11 @@ def find_gap_for_n(
) -> Tuple[float, float]: ) -> Tuple[float, float]:
n = n_bare * find_gap(0, 0, debye_frequency, nv) n = n_bare * find_gap(0, 0, debye_frequency, nv)
nv_inv = 1 / nv nv_inv = 1 / nv
with warnings.catch_warnings():
warnings.filterwarnings(
"ignore",
message="Creating an ndarray from ragged nested"
)
sol = scipy.optimize.root( sol = scipy.optimize.root(
lambda x: [ lambda x: [
gap_integral(temp, x[0], x[1], debye_frequency) - nv_inv, gap_integral(temp, x[0], x[1], debye_frequency) - nv_inv,

3
tests/test_os_gap_calc.py
View File

@ -70,9 +70,12 @@ def test_n_integral():
def test_find_n_gap(): def test_find_n_gap():
actual = None
with pytest.warns(None) as record:
actual = pysuperconductor.os_gap_calc.find_gap_for_n(.3, .1, 100, .2) actual = pysuperconductor.os_gap_calc.find_gap_for_n(.3, .1, 100, .2)
numpy.testing.assert_almost_equal( numpy.testing.assert_almost_equal(
actual[0], 1.0296692197710933, actual[0], 1.0296692197710933,
decimal=7, err_msg="did not find correct delta", decimal=7, err_msg="did not find correct delta",
verbose=True verbose=True
) )
assert not record